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

C19H10ClF2N3O3S — CID 89458087

IUPAC4-(4-chlorophenyl)-2-[(4,6-difluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
SMILESO=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2c(F)cc(F)cn2n1
InChIInChI=1S/C19H10ClF2N3O3S/c20-10-3-1-9(2-4-10)12-8-29-18(16(12)19(27)28)23-17(26)14-6-15-13(22)5-11(21)7-25(15)24-14/h1-8H,(H,23,26)(H,27,28)
InChIKeyVRFVYAKCFPLCLJ-UHFFFAOYSA-N
MW433.82 g/mol
LogP4.94
Rot. Bonds4

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

4-(4-chlorophenyl)-2-[(4,6-difluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 89458087) has the molecular formula C19H10ClF2N3O3S and a molecular weight of 433.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[(4,6-difluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[(4,6-difluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID89458087
Molecular FormulaC19H10ClF2N3O3S
Molecular Weight433.82 g/mol
Exact Mass433.01
IUPAC Name4-(4-chlorophenyl)-2-[(4,6-difluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
SMILESO=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2c(F)cc(F)cn2n1
InChIInChI=1S/C19H10ClF2N3O3S/c20-10-3-1-9(2-4-10)12-8-29-18(16(12)19(27)28)23-17(26)14-6-15-13(22)5-11(21)7-25(15)24-14/h1-8H,(H,23,26)(H,27,28)
InChIKeyVRFVYAKCFPLCLJ-UHFFFAOYSA-N
XLogP4.94
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.82
LogP ≤ 54.94
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-[(4,6-difluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 4-(4-chlorophenyl)-2-[(4,6-difluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid (CID 89458087) is 4-(4-chlorophenyl)-2-[(4,6-difluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[(4,6-difluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenyl)-2-[(4,6-difluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid is O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2c(F)cc(F)cn2n1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[(4,6-difluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is VRFVYAKCFPLCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF2N3O3S/c20-10-3-1-9(2-4-10)12-8-29-18(16(12)19(27)28)23-17(26)14-6-15-13(22)5-11(21)7-25(15)24-14/h1-8H,(H,23,26)(H,27,28).
What are the key properties of 4-(4-chlorophenyl)-2-[(4,6-difluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
4-(4-chlorophenyl)-2-[(4,6-difluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 433.82 g/mol, XLogP of 4.94, 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-[(4,6-difluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 89458087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).