3-amino-6-(pyridin-4-yl)-N-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-(pyridin-4-yl)-N-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide

CAS: 496019-29-5

Formula: C20H13F3N4OS

SMILES: NC1=C(SC2=NC(=CC=C12)C1=CC=NC=C1)C(=O)NC1=C(C=CC=C1)C(F)(F)F

IUPAC: 3-amino-6-(pyridin-4-yl)-N-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide

InChI: InChI=1S/C20H13F3N4OS/c21-20(22,23)13-3-1-2-4-15(13)26-18(28)17-16(24)12-5-6-14(27-19(12)29-17)11-7-9-25-10-8-11/h1-10H,24H2,(H,26,28)

Composition: C (57.97%), H (3.16%), F (13.75%), N (13.52%), O (3.86%), S (7.74%)

Molar Mass: 414.41

Atom Count: 42

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	414.076216718
Formal Charge	0
FSP3	0.05
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	ORFFBGKTRLHHSC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.79
Topological Polar Surface Area	80.9
Polarizability	39.72
Ring Count	4
Rotatable Bond Count	4

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90%	<2 Days	496019-29-5		$51.35-$86.31$51.35$63.37$86.31