N-{5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl}-3-hydroxypyrrolidine-1-carboxamide

N-{5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl}-3-hydroxypyrrolidine-1-carboxamide

CAS: 1223403-58-4

Formula: C21H22F2N6O2

SMILES: OC1CCN(C1)C(=O)NC1=C2N=C(C=CN2N=C1)N1CCCC1C1=C(F)C=CC(F)=C1

IUPAC: N-{5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl}-3-hydroxypyrrolidine-1-carboxamide

InChI: InChI=1/C21H22F2N6O2/c22-13-3-4-16(23)15(10-13)18-2-1-7-28(18)19-6-9-29-20(26-19)17(11-24-29)25-21(31)27-8-5-14(30)12-27/h3-4,6,9-11,14,18,30H,1-2,5,7-8,12H2,(H,25,31)

Composition: C (58.87%), H (5.18%), F (8.87%), N (19.62%), O (7.47%)

Molar Mass: 428.444

Atom Count: 53

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	428.177230298
Formal Charge	0
FSP3	0.38
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	NYNZQNWKBKUAII-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	122.96
Topological Polar Surface Area	86
Polarizability	40.66
Ring Count	5
Rotatable Bond Count	3

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