N-[4-(4-methylpiperazin-1-yl)-3'-(morpholin-4-ylmethyl)-[1,1'-biphenyl]-3-yl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[4-(4-methylpiperazin-1-yl)-3'-(morpholin-4-ylmethyl)-[1,1'-biphenyl]-3-yl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

CAS: 1801787-56-3

Formula: C29H32F3N5O3

SMILES: CN1CCN(CC1)C1=C(NC(=O)C2=CNC(=O)C=C2C(F)(F)F)C=C(C=C1)C1=CC=CC(CN2CCOCC2)=C1

IUPAC: N-[4-(4-methylpiperazin-1-yl)-3'-[(morpholin-4-yl)methyl]-[1,1'-biphenyl]-3-yl]-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide

InChI: InChI=1S/C29H32F3N5O3/c1-35-7-9-37(10-8-35)26-6-5-22(21-4-2-3-20(15-21)19-36-11-13-40-14-12-36)16-25(26)34-28(39)23-18-33-27(38)17-24(23)29(30,31)32/h2-6,15-18H,7-14,19H2,1H3,(H,33,38)(H,34,39)

Composition: C (62.69%), H (5.81%), F (10.26%), N (12.61%), O (8.64%)

Molar Mass: 555.602

Atom Count: 72

Heavy Atom Count: 40

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	555.245724399
Formal Charge	0
FSP3	0.38
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	DJOVLOYCGXNVPI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	150.77
Topological Polar Surface Area	77.15
Polarizability	56.32
Ring Count	5
Rotatable Bond Count	7

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