Baricitinib CAS NO.1187594-09-7

he baricitinib, with the cas registry number 1187594-09-7, is also known as 3-azetidineacetonitrile, 1-(ethylsulfonyl)-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]-. this chemical's molecular formula is c₁₆h₁₇n₇o₂s and molecular weight is 371.42. what's more, its systematic name is {1-(ethylsulfonyl)-3-[4-(1h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]-3-azetidinyl}acetonitrile. this chemical is an oral jak1 and jak2 inhibitor. it has shown encouraging results in a clinical trial for rheumatoid arthritis.

physical properties of baricitinib are: (1)acd/logp: -0.06±0.73; (2)# of rule of 5 violations: 0; (3)acd/logd (ph 5.5): -0.07; (4)acd/logd (ph 7.4): -0.07; (5)acd/bcf (ph 5.5): 1.00; (6)acd/bcf (ph 7.4): 1.00; (7)acd/koc (ph 5.5): 21.62; (8)acd/koc (ph 7.4): 21.97; (9)#h bond acceptors: 9; (10)#h bond donors: 1; (11)#freely rotating bonds: 5; (12)polar surface area: 128.94 å²; (13)index of refraction: 1.763; (14)molar refractivity: 98.2±0.5 cm³; (15)molar volume: 238.1±7.0 cm³; (16)polarizability: 38.9±0.5×10^-24cm³; (17)surface tension: 73.0±7.0 dyne/cm; (18)density: 1.6±0.1 g/cm³.

you can still convert the following datas into molecular structure:
(1)smiles: ccs(=o)(=o)n1cc(c1)(cc#n)n2cc(cn2)c3c4cc[nh]c4ncn3
(2)std. inchi: inchi=1s/c16h17n7o2s/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11h,2,4,9-10h2,1h3,(h,18,19,20)
(3)std. inchikey: xuzmwhlsfxcvmg-uhfffaoysa-n