(3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide

(3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide

CAS: 942183-80-4

Formula: C33H33N9O2

SMILES: O=C(CN1CC[C@H](C1)C(=O)NC1=CC=C2NN=C(C2=C1)C1=CC=NC=C1)N1CCN(CC1)C1=CC=C(C=C1)C1=NC=CC=N1

IUPAC: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide

InChI: InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1

Composition: C (67.44%), H (5.66%), N (21.45%), O (5.44%)

Molar Mass: 587.688

Atom Count: 77

Heavy Atom Count: 44

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	1
Exact Mass	587.275721339
Formal Charge	0
FSP3	0.27
Hetero Ring Count	5
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
InChIKey	HDAJDNHIBCDLQF-RUZDIDTESA-N
Lipinski's Rule of Five
Molar Refractivity	180.84
Topological Polar Surface Area	123.24
Polarizability	66.66
Ring Count	7
Rotatable Bond Count	7

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