6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]pyridine-2-carboxylic acid

C20H18FN3O4S — CID 25123167

IUPAC6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]pyridine-2-carboxylic acid
SMILESCC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(C(=O)O)n3)s2)c(F)c1
InChIInChI=1S/C20H18FN3O4S/c1-20(2,28)10-6-7-11(13(21)8-10)15-9-12(17(22)25)18(29-15)24-16-5-3-4-14(23-16)19(26)27/h3-9,28H,1-2H3,(H2,22,25)(H,23,24)(H,26,27)
InChIKeyMTPFSVPMMKWSGF-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.72
Rot. Bonds6

About 6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]pyridine-2-carboxylic acid

6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]pyridine-2-carboxylic acid (PubChem CID 25123167) has the molecular formula C20H18FN3O4S and a molecular weight of 415.45 g/mol. Its IUPAC name is 6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]pyridine-2-carboxylic acid
PubChem CID25123167
Molecular FormulaC20H18FN3O4S
Molecular Weight415.45 g/mol
Exact Mass415.10
IUPAC Name6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]pyridine-2-carboxylic acid
SMILESCC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(C(=O)O)n3)s2)c(F)c1
InChIInChI=1S/C20H18FN3O4S/c1-20(2,28)10-6-7-11(13(21)8-10)15-9-12(17(22)25)18(29-15)24-16-5-3-4-14(23-16)19(26)27/h3-9,28H,1-2H3,(H2,22,25)(H,23,24)(H,26,27)
InChIKeyMTPFSVPMMKWSGF-UHFFFAOYSA-N
XLogP3.72
TPSA125.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]pyridine-2-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

5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-({6-[(2-hydroxy-2-methylpropoxy)methyl]pyridin-2-yl}amino)thiophene-3-carboxamide
CID 25110598
5-[4-(2-Hydroxypropan-2-yl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25124143
4-(3-Fluoroanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53323250
4-(4-Fluoroanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53325886
5-[2,6-Difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 25123163
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-phenyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 25123166
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25123484
5-(2-Fluoro-4-(1-hydroxy-1-methylethyl)phenyl)-2-((6-(hydroxymethyl)-2-pyridinyl)amino)-3-thiophenecarboxamide
CID 25123485
5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-[(6-{[(2-hydroxy-1,2-dimethylpropyl)amino]methyl}pyridin-2-yl)amino]thiophene-3-carboxamide
CID 25123488
5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-[(6-{[(3S)-3-methylmorpholin-4-yl]methyl}pyridin-2-yl)amino]thiophene-3-carboxamide
CID 25123815
5-[2-Fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[(4-methyl-3-oxopiperazin-1-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25125153
5-[2-Fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(2-morpholin-4-yl-2-oxoethyl)amino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25125831

Frequently Asked Questions

What is the IUPAC name of 6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]pyridine-2-carboxylic acid (CID 25123167) is 6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]pyridine-2-carboxylic acid is CC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(C(=O)O)n3)s2)c(F)c1.
What is the InChIKey of 6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is MTPFSVPMMKWSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4S/c1-20(2,28)10-6-7-11(13(21)8-10)15-9-12(17(22)25)18(29-15)24-16-5-3-4-14(23-16)19(26)27/h3-9,28H,1-2H3,(H2,22,25)(H,23,24)(H,26,27).
What are the key properties of 6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]pyridine-2-carboxylic acid?
6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 415.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 25123167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).