5-(chloromethyl)-N-(4-methylphenyl)-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide

C19H15ClN4OS — CID 123569486

IUPAC5-(chloromethyl)-N-(4-methylphenyl)-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
SMILESCc1ccc(NC(=O)c2nc(-c3cnn4ccccc34)c(CCl)s2)cc1
InChIInChI=1S/C19H15ClN4OS/c1-12-5-7-13(8-6-12)22-18(25)19-23-17(16(10-20)26-19)14-11-21-24-9-3-2-4-15(14)24/h2-9,11H,10H2,1H3,(H,22,25)
InChIKeyCSBMGXJXLPYMBM-UHFFFAOYSA-N
MW382.88 g/mol
LogP4.76
Rot. Bonds4

About 5-(chloromethyl)-N-(4-methylphenyl)-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide

5-(chloromethyl)-N-(4-methylphenyl)-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (PubChem CID 123569486) has the molecular formula C19H15ClN4OS and a molecular weight of 382.88 g/mol. Its IUPAC name is 5-(chloromethyl)-N-(4-methylphenyl)-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-(chloromethyl)-N-(4-methylphenyl)-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
PubChem CID123569486
Molecular FormulaC19H15ClN4OS
Molecular Weight382.88 g/mol
Exact Mass382.07
IUPAC Name5-(chloromethyl)-N-(4-methylphenyl)-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
SMILESCc1ccc(NC(=O)c2nc(-c3cnn4ccccc34)c(CCl)s2)cc1
InChIInChI=1S/C19H15ClN4OS/c1-12-5-7-13(8-6-12)22-18(25)19-23-17(16(10-20)26-19)14-11-21-24-9-3-2-4-15(14)24/h2-9,11H,10H2,1H3,(H,22,25)
InChIKeyCSBMGXJXLPYMBM-UHFFFAOYSA-N
XLogP4.76
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.88
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-N-quinolin-7-yl-1,3-thiazole-2-carboxamide
CID 58385930
N-(3-pyrazolo[1,5-a]pyridin-3-ylphenyl)acetamide
CID 66592668
N-phenylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 46882438
N-[(3R,4S)-4-amino-1-benzylpyrrolidin-3-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 67353266
N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 58385870
N-[(1R)-2-amino-1,2-diphenylethyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 44816156
N-(2-aminocyclopentyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 76773123
N-(3-aminocyclohexyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 44816673
5-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxylic acid
CID 167386381
N-(3-amino-4-methylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103115970
N-[2-amino-1-cyclohexa-1,3-dien-1-yl-2-(2-methylphenyl)ethyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 91496655
[(2S)-2,3-diphenylpropyl] 5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxylate
CID 58385971

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-(4-methylphenyl)-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-(chloromethyl)-N-(4-methylphenyl)-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (CID 123569486) is 5-(chloromethyl)-N-(4-methylphenyl)-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-(chloromethyl)-N-(4-methylphenyl)-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-(chloromethyl)-N-(4-methylphenyl)-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is Cc1ccc(NC(=O)c2nc(-c3cnn4ccccc34)c(CCl)s2)cc1.
What is the InChIKey of 5-(chloromethyl)-N-(4-methylphenyl)-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The InChIKey is CSBMGXJXLPYMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4OS/c1-12-5-7-13(8-6-12)22-18(25)19-23-17(16(10-20)26-19)14-11-21-24-9-3-2-4-15(14)24/h2-9,11H,10H2,1H3,(H,22,25).
What are the key properties of 5-(chloromethyl)-N-(4-methylphenyl)-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
5-(chloromethyl)-N-(4-methylphenyl)-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide has a molecular weight of 382.88 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-(4-methylphenyl)-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 123569486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).