N-(6-{4-[({4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}carbamoyl)amino]phenoxy}pyrimidin-4-yl)cyclopropanecarboxamide

N-(6-{4-[({4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}carbamoyl)amino]phenoxy}pyrimidin-4-yl)cyclopropanecarboxamide

CAS: 1421227-52-2

Formula: C28H30F3N7O3

SMILES: CN1CCN(CC2=CC=C(NC(=O)NC3=CC=C(OC4=CC(NC(=O)C5CC5)=NC=N4)C=C3)C=C2C(F)(F)F)CC1

IUPAC: N-(6-{4-[({4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}carbamoyl)amino]phenoxy}pyrimidin-4-yl)cyclopropanecarboxamide

InChI: InChI=1S/C28H30F3N7O3/c1-37-10-12-38(13-11-37)16-19-4-5-21(14-23(19)28(29,30)31)35-27(40)34-20-6-8-22(9-7-20)41-25-15-24(32-17-33-25)36-26(39)18-2-3-18/h4-9,14-15,17-18H,2-3,10-13,16H2,1H3,(H2,34,35,40)(H,32,33,36,39)

Composition: C (59.04%), H (5.31%), F (10.01%), N (17.21%), O (8.43%)

Molar Mass: 569.589

Atom Count: 71

Heavy Atom Count: 41

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	569.236222343
Formal Charge	0
FSP3	0.36
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	KIKOYRNAERIVSJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	152.41
Topological Polar Surface Area	111.72
Polarizability	54.9
Ring Count	5
Rotatable Bond Count	9

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