2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid

C22H19ClFN3O3S — CID 140574388

IUPAC2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
SMILESO=C(Cc1ccc(Cl)cc1F)Nc1sc2c(c1C(=O)O)CCN(Cc1ccccn1)C2
InChIInChI=1S/C22H19ClFN3O3S/c23-14-5-4-13(17(24)10-14)9-19(28)26-21-20(22(29)30)16-6-8-27(12-18(16)31-21)11-15-3-1-2-7-25-15/h1-5,7,10H,6,8-9,11-12H2,(H,26,28)(H,29,30)
InChIKeyLSIYVFTZUNDQGY-UHFFFAOYSA-N
MW459.93 g/mol
LogP4.37
Rot. Bonds6

About 2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid

2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 140574388) has the molecular formula C22H19ClFN3O3S and a molecular weight of 459.93 g/mol. Its IUPAC name is 2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
PubChem CID140574388
Molecular FormulaC22H19ClFN3O3S
Molecular Weight459.93 g/mol
Exact Mass459.08
IUPAC Name2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
SMILESO=C(Cc1ccc(Cl)cc1F)Nc1sc2c(c1C(=O)O)CCN(Cc1ccccn1)C2
InChIInChI=1S/C22H19ClFN3O3S/c23-14-5-4-13(17(24)10-14)9-19(28)26-21-20(22(29)30)16-6-8-27(12-18(16)31-21)11-15-3-1-2-7-25-15/h1-5,7,10H,6,8-9,11-12H2,(H,26,28)(H,29,30)
InChIKeyLSIYVFTZUNDQGY-UHFFFAOYSA-N
XLogP4.37
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.93
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(oxan-2-ylamino)-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 70008075
ethyl 6-benzyl-2-[[2-(2,4-dimethylphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 29057867
6-benzyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride
CID 53313256
6-benzyl-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 44919437
methyl 2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 100508121
1-[(4-chloro-2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 100684761
methyl 6-benzyl-2-[[2-(4-ethoxyphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 30715418
methyl 6-benzyl-2-(1,2-oxazole-5-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 25284103
6-benzyl-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16833053
2-[(4-chlorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28861069
2-acetamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4136200
6-ethyl-2-(3-phenoxypropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28861053

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (CID 140574388) is 2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is O=C(Cc1ccc(Cl)cc1F)Nc1sc2c(c1C(=O)O)CCN(Cc1ccccn1)C2.
What is the InChIKey of 2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is LSIYVFTZUNDQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O3S/c23-14-5-4-13(17(24)10-14)9-19(28)26-21-20(22(29)30)16-6-8-27(12-18(16)31-21)11-15-3-1-2-7-25-15/h1-5,7,10H,6,8-9,11-12H2,(H,26,28)(H,29,30).
What are the key properties of 2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 459.93 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 140574388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).