2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5-(3-chlorothiophen-2-yl)-1H-pyrrole-3-carbonitrile

2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5-(3-chlorothiophen-2-yl)-1H-pyrrole-3-carbonitrile

CAS: 477845-28-6

Formula: C19H14Cl2F3N5S

SMILES: FC(F)(F)C1=CC(Cl)=C(N=C1)N1CCN(CC1)C1=C(C=C(N1)C1=C(Cl)C=CS1)C#N

IUPAC: 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5-(3-chlorothiophen-2-yl)-1H-pyrrole-3-carbonitrile

InChI: InChI=1S/C19H14Cl2F3N5S/c20-13-1-6-30-16(13)15-7-11(9-25)17(27-15)28-2-4-29(5-3-28)18-14(21)8-12(10-26-18)19(22,23)24/h1,6-8,10,27H,2-5H2

Composition: C (48.32%), H (2.99%), Cl (15.01%), F (12.07%), N (14.83%), S (6.79%)

Molar Mass: 472.31

Atom Count: 44

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	471.0299065
Formal Charge	0
FSP3	0.26
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VYVWBQDEXMGDPA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	112.41
Topological Polar Surface Area	58.95
Polarizability	42.04
Ring Count	4
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	477845-28-6		$51.35-$86.31$51.35$63.37$86.31