6-(2-hydroxy-2-methylpropoxy)-4-(6-{6-[(6-methoxypyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl}pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(2-hydroxy-2-methylpropoxy)-4-(6-{6-[(6-methoxypyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl}pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

CAS: 2152628-33-4

Formula: C29H31N7O3

SMILES: COC1=CC=C(CN2C3CC2CN(C3)C2=CC=C(C=N2)C2=CC(OCC(C)(C)O)=CN3N=CC(C#N)=C23)C=N1

IUPAC: 6-(2-hydroxy-2-methylpropoxy)-4-(6-{6-[(6-methoxypyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl}pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

InChI: InChI=1/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3

Composition: C (66.27%), H (5.95%), N (18.65%), O (9.13%)

Molar Mass: 525.613

Atom Count: 70

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	2
Exact Mass	525.248837886
Formal Charge	0
FSP3	0.38
Hetero Ring Count	6
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
InChIKey	XIIOFHFUYBLOLW-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	158.75
Topological Polar Surface Area	112.04
Polarizability	57.97
Ring Count	6
Rotatable Bond Count	8

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