N1-(4-{[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino}phenyl)-N'1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

N1-(4-{[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino}phenyl)-N'1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

CAS: 2105956-51-0

Formula: C31H32FN7O3

SMILES: CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(NC(=O)C4(CC4)C(=O)NC4=CC=C(F)C=C4)C=C3)N=C2N1C1CCCC1

IUPAC: N1-(4-{[7-cyclopentyl-6-(dimethylcarbamoyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}phenyl)-N'1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

InChI: InChI=1S/C31H32FN7O3/c1-38(2)27(40)25-17-19-18-33-30(37-26(19)39(25)24-5-3-4-6-24)36-23-13-11-22(12-14-23)35-29(42)31(15-16-31)28(41)34-21-9-7-20(32)8-10-21/h7-14,17-18,24H,3-6,15-16H2,1-2H3,(H,34,41)(H,35,42)(H,33,36,37)

Composition: C (65.36%), H (5.66%), F (3.34%), N (17.21%), O (8.43%)

Molar Mass: 569.641

Atom Count: 74

Heavy Atom Count: 42

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	569.255066081
Formal Charge	0
FSP3	0.32
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	KXUNYNZTSOIXMY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	159.23
Topological Polar Surface Area	121.25
Polarizability	58.89
Ring Count	6
Rotatable Bond Count	8

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	2105956-51-0		$237.73-$1,514.28$237.73$371.50$1,111.44$1,514.28