2-{[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino}pyridine-4-carbonitrile

2-{[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino}pyridine-4-carbonitrile

CAS: 1496581-76-0

Formula: C23H26F2N6O

SMILES: FC1(F)CCN(C1)C1=CC(=CC(NC2=NC=CC(=C2)C#N)=N1)C1CCN(CC1)C1COC1

IUPAC: 2-{[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino}pyridine-4-carbonitrile

InChI: InChI=1S/C23H26F2N6O/c24-23(25)4-8-31(15-23)22-11-18(17-2-6-30(7-3-17)19-13-32-14-19)10-21(29-22)28-20-9-16(12-26)1-5-27-20/h1,5,9-11,17,19H,2-4,6-8,13-15H2,(H,27,28,29)

Composition: C (62.71%), H (5.95%), F (8.63%), N (19.08%), O (3.63%)

Molar Mass: 440.499

Atom Count: 58

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	440.213615807
Formal Charge	0
FSP3	0.52
Hetero Ring Count	5
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	RHFIAUKMKYHHFA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.93
Topological Polar Surface Area	77.31
Polarizability	43.75
Ring Count	5
Rotatable Bond Count	5

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