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

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

CAS: 496801-45-7

Formula: C23H22N4O3S

SMILES: COC1=C(OC)C=C(CCNC(=O)C2=C(N)C3=CC=C(N=C3S2)C2=CC=NC=C2)C=C1

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

InChI: InChI=1S/C23H22N4O3S/c1-29-18-6-3-14(13-19(18)30-2)7-12-26-22(28)21-20(24)16-4-5-17(27-23(16)31-21)15-8-10-25-11-9-15/h3-6,8-11,13H,7,12,24H2,1-2H3,(H,26,28)

Composition: C (63.58%), H (5.10%), N (12.89%), O (11.05%), S (7.38%)

Molar Mass: 434.51

Atom Count: 53

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	434.141261758
Formal Charge	0
FSP3	0.17
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	QHVGSMBQJNRQTH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	120.55
Topological Polar Surface Area	99.36
Polarizability	47.27
Ring Count	4
Rotatable Bond Count	7

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90%	<2 Days	496801-45-7		$51.35-$86.31$51.35$63.37$86.31