2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-nitrophenyl)-1,3-thiazole-5-carboxylic acid

C18H12N4O4S — CID 66855054

IUPAC2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-nitrophenyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nn2ccccc2c1-c1nc(-c2ccccc2[N+](=O)[O-])c(C(=O)O)s1
InChIInChI=1S/C18H12N4O4S/c1-10-14(13-8-4-5-9-21(13)20-10)17-19-15(16(27-17)18(23)24)11-6-2-3-7-12(11)22(25)26/h2-9H,1H3,(H,23,24)
InChIKeyNRKLFUVYENTEEF-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.04
Rot. Bonds4

About 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-nitrophenyl)-1,3-thiazole-5-carboxylic acid

2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-nitrophenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 66855054) has the molecular formula C18H12N4O4S and a molecular weight of 380.39 g/mol. Its IUPAC name is 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-nitrophenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-nitrophenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID66855054
Molecular FormulaC18H12N4O4S
Molecular Weight380.39 g/mol
Exact Mass380.06
IUPAC Name2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-nitrophenyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nn2ccccc2c1-c1nc(-c2ccccc2[N+](=O)[O-])c(C(=O)O)s1
InChIInChI=1S/C18H12N4O4S/c1-10-14(13-8-4-5-9-21(13)20-10)17-19-15(16(27-17)18(23)24)11-6-2-3-7-12(11)22(25)26/h2-9H,1H3,(H,23,24)
InChIKeyNRKLFUVYENTEEF-UHFFFAOYSA-N
XLogP4.04
TPSA110.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-nitrophenyl)-1,3-thiazole-5-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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-nitrophenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-nitrophenyl)-1,3-thiazole-5-carboxylic acid (CID 66855054) is 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-nitrophenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-nitrophenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-nitrophenyl)-1,3-thiazole-5-carboxylic acid is Cc1nn2ccccc2c1-c1nc(-c2ccccc2[N+](=O)[O-])c(C(=O)O)s1.
What is the InChIKey of 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-nitrophenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is NRKLFUVYENTEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O4S/c1-10-14(13-8-4-5-9-21(13)20-10)17-19-15(16(27-17)18(23)24)11-6-2-3-7-12(11)22(25)26/h2-9H,1H3,(H,23,24).
What are the key properties of 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-nitrophenyl)-1,3-thiazole-5-carboxylic acid?
2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-nitrophenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 380.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-nitrophenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 66855054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).