6-(1-benzofuran-3-carbonyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C24H18F3N3O3S — CID 171706362

IUPAC6-(1-benzofuran-3-carbonyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cn1)c1csc2c1CCN(C(=O)c1coc3ccccc13)C2
InChIInChI=1S/C24H18F3N3O3S/c25-24(26,27)14-5-6-15(28-9-14)10-29-22(31)19-13-34-21-11-30(8-7-17(19)21)23(32)18-12-33-20-4-2-1-3-16(18)20/h1-6,9,12-13H,7-8,10-11H2,(H,29,31)
InChIKeyBQHJPIBSDLBWJL-UHFFFAOYSA-N
MW485.49 g/mol
LogP5.04
Rot. Bonds4

About 6-(1-benzofuran-3-carbonyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-(1-benzofuran-3-carbonyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 171706362) has the molecular formula C24H18F3N3O3S and a molecular weight of 485.49 g/mol. Its IUPAC name is 6-(1-benzofuran-3-carbonyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1-benzofuran-3-carbonyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID171706362
Molecular FormulaC24H18F3N3O3S
Molecular Weight485.49 g/mol
Exact Mass485.10
IUPAC Name6-(1-benzofuran-3-carbonyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cn1)c1csc2c1CCN(C(=O)c1coc3ccccc13)C2
InChIInChI=1S/C24H18F3N3O3S/c25-24(26,27)14-5-6-15(28-9-14)10-29-22(31)19-13-34-21-11-30(8-7-17(19)21)23(32)18-12-33-20-4-2-1-3-16(18)20/h1-6,9,12-13H,7-8,10-11H2,(H,29,31)
InChIKeyBQHJPIBSDLBWJL-UHFFFAOYSA-N
XLogP5.04
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.49
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzofuran-3-carbonyl)-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 171706333
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
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
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-[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
2-(trifluoromethyl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide
CID 44602648
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
4-amino-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 167085267
5-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158913
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
6-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[4-(oxolan-3-yloxy)-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 172516957
N-[2-(dimethylamino)ethyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118786775

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-3-carbonyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-(1-benzofuran-3-carbonyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 171706362) is 6-(1-benzofuran-3-carbonyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-(1-benzofuran-3-carbonyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-(1-benzofuran-3-carbonyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is O=C(NCc1ccc(C(F)(F)F)cn1)c1csc2c1CCN(C(=O)c1coc3ccccc13)C2.
What is the InChIKey of 6-(1-benzofuran-3-carbonyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is BQHJPIBSDLBWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O3S/c25-24(26,27)14-5-6-15(28-9-14)10-29-22(31)19-13-34-21-11-30(8-7-17(19)21)23(32)18-12-33-20-4-2-1-3-16(18)20/h1-6,9,12-13H,7-8,10-11H2,(H,29,31).
What are the key properties of 6-(1-benzofuran-3-carbonyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-(1-benzofuran-3-carbonyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 485.49 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-3-carbonyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 171706362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).