4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-N-methylbenzamide

4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-N-methylbenzamide

CAS: 1618658-88-0

Formula: C28H28N6O4

SMILES: CNC(=O)C1=CC=C(NC2=NC(OC3CCCC3)=C3C(NC=C3C3=CC=C4N=C(C)OC4=C3)=N2)C(OC)=C1

IUPAC: 4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-N-methylbenzamide

InChI: InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)

Composition: C (65.61%), H (5.51%), N (16.40%), O (12.49%)

Molar Mass: 512.57

Atom Count: 66

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	512.217203406
Formal Charge	0
FSP3	0.29
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
InChIKey	CWJLAVRXVFHDSJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	142.06
Topological Polar Surface Area	127.19
Polarizability	56.37
Ring Count	6
Rotatable Bond Count	7

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