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842148-40-7

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Basic Information
CAS No.: 842148-40-7
Name: AKT Kinase Inhibitor
Molecular Structure:
Molecular Structure of 842148-40-7 (AKT Kinase Inhibitor)
Formula: C16H19N7O3
Molecular Weight: 357.37
Synonyms: 2-Propyn-1-ol, 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-;
Density: 1.507 g/cm3
Boiling Point: 678.806 °C at 760 mmHg
Flash Point: 364.329 °C
PSA: 151.13000
LogP: 1.43630
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    2-Propyn-1-ol, 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-

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Specification

AKT Kinase Inhibitor is an organic compound with the formula C16H19N7O3, and its systematic name is the same with the product name. With the CAS registry number 842148-40-7, it is also named as 2-Propyn-1-ol, 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-. In addition, the molecular weight is 357.37.

Physical properties of AKT Kinase Inhibitor are: (1)ACD/LogP: 2.771; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): 1.01; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.31; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 13.32; (9)#H bond acceptors: 10; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 151.13 Å2; (13)Index of Refraction: 1.704; (14)Molar Refractivity: 92.084 cm3; (15)Molar Volume: 237.171 cm3; (16)Polarizability: 36.505×10-24cm3; (17)Surface Tension: 64.34 dyne/cm; (18)Density: 1.507 g/cm3; (19)Flash Point: 364.329 °C; (20)Enthalpy of Vaporization: 104.65 kJ/mol; (21)Boiling Point: 678.806 °C at 760 mmHg ; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCn1c2c(cnc(c2nc1c3c(non3)N)C#CCO)OCCCN
(2)Std. InChI: InChI=1S/C16H19N7O3/c1-2-23-14-11(25-8-4-6-17)9-19-10(5-3-7-24)12(14)20-16(23)13-15(18)22-26-21-13/h9,24H,2,4,6-8,17H2,1H3,(H2,18,22)
(3)Std. InChIKey: LWLOLQIXHMFYND-UHFFFAOYSA-N