4-(4-chlorophenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid

C20H13ClFN3O3S — CID 89457965

IUPAC4-(4-chlorophenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1cc(F)c2cc(C(=O)Nc3scc(-c4ccc(Cl)cc4)c3C(=O)O)nn2c1
InChIInChI=1S/C20H13ClFN3O3S/c1-10-6-14(22)16-7-15(24-25(16)8-10)18(26)23-19-17(20(27)28)13(9-29-19)11-2-4-12(21)5-3-11/h2-9H,1H3,(H,23,26)(H,27,28)
InChIKeyMABXQVZLNHXPBL-UHFFFAOYSA-N
MW429.86 g/mol
LogP5.11
Rot. Bonds4

About 4-(4-chlorophenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid

4-(4-chlorophenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 89457965) has the molecular formula C20H13ClFN3O3S and a molecular weight of 429.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID89457965
Molecular FormulaC20H13ClFN3O3S
Molecular Weight429.86 g/mol
Exact Mass429.04
IUPAC Name4-(4-chlorophenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1cc(F)c2cc(C(=O)Nc3scc(-c4ccc(Cl)cc4)c3C(=O)O)nn2c1
InChIInChI=1S/C20H13ClFN3O3S/c1-10-6-14(22)16-7-15(24-25(16)8-10)18(26)23-19-17(20(27)28)13(9-29-19)11-2-4-12(21)5-3-11/h2-9H,1H3,(H,23,26)(H,27,28)
InChIKeyMABXQVZLNHXPBL-UHFFFAOYSA-N
XLogP5.11
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.86
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 4-(4-chlorophenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid (CID 89457965) is 4-(4-chlorophenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid is Cc1cc(F)c2cc(C(=O)Nc3scc(-c4ccc(Cl)cc4)c3C(=O)O)nn2c1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is MABXQVZLNHXPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O3S/c1-10-6-14(22)16-7-15(24-25(16)8-10)18(26)23-19-17(20(27)28)13(9-29-19)11-2-4-12(21)5-3-11/h2-9H,1H3,(H,23,26)(H,27,28).
What are the key properties of 4-(4-chlorophenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
4-(4-chlorophenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 429.86 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 89457965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).