6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-N-[2-methoxy-4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C25H21F3N4O3S — CID 171706368

IUPAC6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-N-[2-methoxy-4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(C(F)(F)F)ccc1NC(=O)c1csc2c1CCN(C(=O)Cc1cnc3ccccn13)C2
InChIInChI=1S/C25H21F3N4O3S/c1-35-20-10-15(25(26,27)28)5-6-19(20)30-24(34)18-14-36-21-13-31(9-7-17(18)21)23(33)11-16-12-29-22-4-2-3-8-32(16)22/h2-6,8,10,12,14H,7,9,11,13H2,1H3,(H,30,34)
InChIKeyGZRSKQFSHWLICW-UHFFFAOYSA-N
MW514.53 g/mol
LogP4.80
Rot. Bonds5

About 6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-N-[2-methoxy-4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-N-[2-methoxy-4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 171706368) has the molecular formula C25H21F3N4O3S and a molecular weight of 514.53 g/mol. Its IUPAC name is 6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-N-[2-methoxy-4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-N-[2-methoxy-4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID171706368
Molecular FormulaC25H21F3N4O3S
Molecular Weight514.53 g/mol
Exact Mass514.13
IUPAC Name6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-N-[2-methoxy-4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(C(F)(F)F)ccc1NC(=O)c1csc2c1CCN(C(=O)Cc1cnc3ccccn13)C2
InChIInChI=1S/C25H21F3N4O3S/c1-35-20-10-15(25(26,27)28)5-6-19(20)30-24(34)18-14-36-21-13-31(9-7-17(18)21)23(33)11-16-12-29-22-4-2-3-8-32(16)22/h2-6,8,10,12,14H,7,9,11,13H2,1H3,(H,30,34)
InChIKeyGZRSKQFSHWLICW-UHFFFAOYSA-N
XLogP4.80
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.53
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 172516951
N-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]-6-(imidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 172516977
N-[5-(1,1-difluoroethyl)-3-pyridinyl]-6-(imidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 170560748
6-(1-benzofuran-3-carbonyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 171706362
3-ethyl-5-(2-fluoropropan-2-yl)benzonitrile;1-[6-(imidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone
CID 165143436
N-(2,4-dimethoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575307
6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165143305
N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-6-(5-methylimidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 172516966
6-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165143290
4-(3-ethylphenyl)-1-[6-(imidazo[1,2-a]pyridine-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]butan-1-one
CID 165143502
N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 748470
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 8871575

Frequently Asked Questions

What is the IUPAC name of 6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-N-[2-methoxy-4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-N-[2-methoxy-4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 171706368) is 6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-N-[2-methoxy-4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-N-[2-methoxy-4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-N-[2-methoxy-4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is COc1cc(C(F)(F)F)ccc1NC(=O)c1csc2c1CCN(C(=O)Cc1cnc3ccccn13)C2.
What is the InChIKey of 6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-N-[2-methoxy-4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is GZRSKQFSHWLICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O3S/c1-35-20-10-15(25(26,27)28)5-6-19(20)30-24(34)18-14-36-21-13-31(9-7-17(18)21)23(33)11-16-12-29-22-4-2-3-8-32(16)22/h2-6,8,10,12,14H,7,9,11,13H2,1H3,(H,30,34).
What are the key properties of 6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-N-[2-methoxy-4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-N-[2-methoxy-4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 514.53 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-N-[2-methoxy-4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 171706368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).