4-[1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid

C18H11F2N3O3S — CID 141388937

IUPAC4-[1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid
SMILESCOc1nccc2c1c(-c1csc(C(=O)O)c1)nn2-c1c(F)cccc1F
InChIInChI=1S/C18H11F2N3O3S/c1-26-17-14-12(5-6-21-17)23(16-10(19)3-2-4-11(16)20)22-15(14)9-7-13(18(24)25)27-8-9/h2-8H,1H3,(H,24,25)
InChIKeyVHSYLPMLKOXLIY-UHFFFAOYSA-N
MW387.37 g/mol
LogP4.13
Rot. Bonds4

About 4-[1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid

4-[1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid (PubChem CID 141388937) has the molecular formula C18H11F2N3O3S and a molecular weight of 387.37 g/mol. Its IUPAC name is 4-[1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid
PubChem CID141388937
Molecular FormulaC18H11F2N3O3S
Molecular Weight387.37 g/mol
Exact Mass387.05
IUPAC Name4-[1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid
SMILESCOc1nccc2c1c(-c1csc(C(=O)O)c1)nn2-c1c(F)cccc1F
InChIInChI=1S/C18H11F2N3O3S/c1-26-17-14-12(5-6-21-17)23(16-10(19)3-2-4-11(16)20)22-15(14)9-7-13(18(24)25)27-8-9/h2-8H,1H3,(H,24,25)
InChIKeyVHSYLPMLKOXLIY-UHFFFAOYSA-N
XLogP4.13
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid with MolForge

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Related Compounds

[2-(4-Fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-methylthiophene-2-carboxylate
CID 10225420
4-(2,3-Difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid
CID 66855453
4-(2-Fluorophenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid
CID 66857113
5-tert-butyl-3-({2-fluoro-4-[2-methoxy-6-(1-methyl-1H-pyrazol-4-yl)-pyridin-4-yl]-benzylamino}-methyl)-thiophene-2-carboxylic acid methyl ester
CID 90159267
5-tert-butyl-3-({2-fluoro-4-[2-methoxy-6-(1-methyl-1H-pyrazol-4-yl)-pyridin-4-yl]-benzylamino}-methyl)-thiophene-2-carboxylic acid
CID 90159778
5-(1-Fluoropropyl)-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxylic acid
CID 90858768
Methyl 4-[1-(2,6-difluoro-4-nitrophenyl)-4-methoxypyrrolo[3,2-c]pyridin-3-yl]thiophene-2-carboxylate
CID 117987617
2-[4-[1-(2,6-Difluorophenyl)-4-methoxypyrazolo[4,3-c]pyridin-3-yl]phenyl]acetic acid
CID 117987980
methyl 4-(1-(2,6-difluorophenyl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)thiophene-2-carboxylate
CID 117988024
4-(1-(2,6-difluorophenyl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)benzoic acid
CID 117988440
methyl 4-(1-(2,6-difluorophenyl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)benzoate
CID 117988531
4-[3-[2-(7-Fluoro-4-methoxyindazol-1-yl)ethylamino]-2-pyridinyl]thiophene-2-carboxylic acid
CID 156711288

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid (CID 141388937) is 4-[1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid is COc1nccc2c1c(-c1csc(C(=O)O)c1)nn2-c1c(F)cccc1F.
What is the InChIKey of 4-[1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid?
The InChIKey is VHSYLPMLKOXLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N3O3S/c1-26-17-14-12(5-6-21-17)23(16-10(19)3-2-4-11(16)20)22-15(14)9-7-13(18(24)25)27-8-9/h2-8H,1H3,(H,24,25).
What are the key properties of 4-[1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid?
4-[1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid has a molecular weight of 387.37 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,6-difluorophenyl)-4-methoxypyrazolo[4,3-c]pyridin-3-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 141388937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).