6-[(6-acetamidopyrimidin-4-yl)oxy]-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}naphthalene-1-carboxamide

6-[(6-acetamidopyrimidin-4-yl)oxy]-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}naphthalene-1-carboxamide

CAS: 890129-26-7

Formula: C30H29F3N6O3

SMILES: CN1CCN(CC2=CC=C(NC(=O)C3=C4C=CC(OC5=NC=NC(NC(C)=O)=C5)=CC4=CC=C3)C=C2C(F)(F)F)CC1

IUPAC: 6-[(6-acetamidopyrimidin-4-yl)oxy]-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}naphthalene-1-carboxamide

InChI: InChI=1S/C30H29F3N6O3/c1-19(40)36-27-16-28(35-18-34-27)42-23-8-9-24-20(14-23)4-3-5-25(24)29(41)37-22-7-6-21(26(15-22)30(31,32)33)17-39-12-10-38(2)11-13-39/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,37,41)(H,34,35,36,40)

Composition: C (62.28%), H (5.05%), F (9.85%), N (14.53%), O (8.30%)

Molar Mass: 578.596

Atom Count: 71

Heavy Atom Count: 42

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	578.225323307
Formal Charge	0
FSP3	0.27
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	MZZJNOOADWVFPD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	157
Topological Polar Surface Area	99.69
Polarizability	58.19
Ring Count	5
Rotatable Bond Count	8

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	890129-26-7		$67.27-$591.65$67.27$96.31$158.23$282.06$405.90$591.65