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503614-92-4

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Basic Information
CAS No.: 503614-92-4
Name: 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid
Article Data: 12
Molecular Structure:
Molecular Structure of 503614-92-4 (1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid)
Formula: C25H24N4O5
Molecular Weight: 460.489
Synonyms: 1-(4-Methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid
Density: 1.422 g/cm3
Boiling Point: 807.247 °C at 760 mmHg
Flash Point: 442.007 °C
PSA: 104.97000
LogP: 3.42890
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Specification

The 1-(4-Methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid, with the CAS registry number 503614-92-4, is also known as 1H-Pyrazolo[3,4-c]pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidinyl) phenyl]-. This chemical's molecular formula is C25H24N4O5 and molecular weight is 460.17. What's more, its systematic name is the same with its product name.

Physical properties about 1-(4-Methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid are: (1)ACD/LogP: 5.147; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.11; (4)ACD/LogD (pH 7.4): 2.06; (5)ACD/BCF (pH 5.5): 44.36; (6)ACD/BCF (pH 7.4): 3.92; (7)ACD/KOC (pH 5.5): 138.77; (8)ACD/KOC (pH 7.4): 12.26; (9)#H bond acceptors: 9; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 104.97 Å2; (13)Index of Refraction: 1.695; (14)Molar Refractivity: 124.553 cm3; (15)Molar Volume: 323.87 cm3; (16)Polarizability: 49.377×10-24cm3; (17)Surface Tension: 60.187 dyne/cm; (18)Density: 1.422 g/cm3; (19)Flash Point: 442.007 °C; (20)Enthalpy of Vaporization: 123.057 kJ/mol; (21)Boiling Point: 807.247 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1CCCCN1c2ccc(cc2)N4CCc3c(nn(c3C4=O)c5ccc(OC)cc5)C(O)=O
(2) InChI: InChI=1S/C25H24N4O5/c1-34-19-11-9-18(10-12-19)29-23-20(22(26-29)25(32)33)13-15-28(24(23)31)17-7-5-16(6-8-17)27-14-3-2-4-21(27)30/h5-12H,2-4,13-15H2,1H3,(H,32,33)
(3) InChIKey: PPUHOTDYJQGTAE-UHFFFAOYSA-N