6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7-one

CAS: 1432908-05-8

Formula: C28H32ClN7O

SMILES: CCN1C(=O)C(=CC2=CN=C(NCCC3CCN(C)CC3)N=C12)C1=CC=C(C=C1Cl)C1=NC(C)=CN=C1

IUPAC: 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one

InChI: InChI=1S/C28H32ClN7O/c1-4-36-26-21(16-32-28(34-26)31-10-7-19-8-11-35(3)12-9-19)13-23(27(36)37)22-6-5-20(14-24(22)29)25-17-30-15-18(2)33-25/h5-6,13-17,19H,4,7-12H2,1-3H3,(H,31,32,34)

Composition: C (64.92%), H (6.23%), Cl (6.84%), N (18.93%), O (3.09%)

Molar Mass: 518.06

Atom Count: 69

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	517.2356864
Formal Charge	0
FSP3	0.39
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	RYCBSFIKWACFBY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	149.51
Topological Polar Surface Area	87.14
Polarizability	57.02
Ring Count	5
Rotatable Bond Count	7

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98.88%	<7 Days	1432908-05-8		$56.10-$607.75$56.10$102.85$140.25$420.75$607.75