2-(2,3-difluoro-4-methylphenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid

C20H13F2N3O3S — CID 58191252

IUPAC2-(2,3-difluoro-4-methylphenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid
SMILESCc1ccc(-c2scc(NC(=O)c3cc4ccccn4n3)c2C(=O)O)c(F)c1F
InChIInChI=1S/C20H13F2N3O3S/c1-10-5-6-12(17(22)16(10)21)18-15(20(27)28)14(9-29-18)23-19(26)13-8-11-4-2-3-7-25(11)24-13/h2-9H,1H3,(H,23,26)(H,27,28)
InChIKeyDIIWSMSUPUPVSP-UHFFFAOYSA-N
MW413.41 g/mol
LogP4.60
Rot. Bonds4

About 2-(2,3-difluoro-4-methylphenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid

2-(2,3-difluoro-4-methylphenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid (PubChem CID 58191252) has the molecular formula C20H13F2N3O3S and a molecular weight of 413.41 g/mol. Its IUPAC name is 2-(2,3-difluoro-4-methylphenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-difluoro-4-methylphenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid
PubChem CID58191252
Molecular FormulaC20H13F2N3O3S
Molecular Weight413.41 g/mol
Exact Mass413.06
IUPAC Name2-(2,3-difluoro-4-methylphenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid
SMILESCc1ccc(-c2scc(NC(=O)c3cc4ccccn4n3)c2C(=O)O)c(F)c1F
InChIInChI=1S/C20H13F2N3O3S/c1-10-5-6-12(17(22)16(10)21)18-15(20(27)28)14(9-29-18)23-19(26)13-8-11-4-2-3-7-25(11)24-13/h2-9H,1H3,(H,23,26)(H,27,28)
InChIKeyDIIWSMSUPUPVSP-UHFFFAOYSA-N
XLogP4.60
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US20230348450, Example 60
CID 162757031
4-[1-(1-Benzothiophen-7-ylmethyl)pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid
CID 73294866
2-[[5-(1-Benzothiophen-3-yl)-1-(pyridin-2-ylmethyl)pyrazole-3-carbonyl]amino]benzoic acid
CID 178293470
2-[[1-(Pyridin-2-ylmethyl)-5-(1,3-thiazol-2-yl)pyrazole-3-carbonyl]amino]benzoic acid
CID 178293719
2-[[1-(Pyridin-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]benzoic acid
CID 178293851
methyl 3-(1-methyl-1H-pyrazole-3-amido)-5-phenylthiophene-2-carboxylate
CID 25284689
Ethyl 5-(2-phenylthiazole-4-carboxamido)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797770
1-(2-fluorophenyl)-5-hydroxy-7-(thiophen-2-yl)-6,7-dihydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 52996002
2-(2,3-Difluoro-4-methylphenyl)-4-(4-fluoropyrazolo[1,5-a]pyridine-2-carboxamido)thiophene-3-carboxylic acid
CID 51033466
4-(2,3-Difluoro-4-methylphenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 53380312
4-(2-Fluoro-4-methylphenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 53380315
4-(2,3-Difluoro-4-methylphenyl)-2-[(6-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 53380316

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-4-methylphenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(2,3-difluoro-4-methylphenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid (CID 58191252) is 2-(2,3-difluoro-4-methylphenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(2,3-difluoro-4-methylphenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(2,3-difluoro-4-methylphenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid is Cc1ccc(-c2scc(NC(=O)c3cc4ccccn4n3)c2C(=O)O)c(F)c1F.
What is the InChIKey of 2-(2,3-difluoro-4-methylphenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid?
The InChIKey is DIIWSMSUPUPVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O3S/c1-10-5-6-12(17(22)16(10)21)18-15(20(27)28)14(9-29-18)23-19(26)13-8-11-4-2-3-7-25(11)24-13/h2-9H,1H3,(H,23,26)(H,27,28).
What are the key properties of 2-(2,3-difluoro-4-methylphenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid?
2-(2,3-difluoro-4-methylphenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid has a molecular weight of 413.41 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-4-methylphenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 58191252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).