5-chloro-N-(2-fluorophenyl)-N-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide

C18H12ClFN4OS — CID 44814960

IUPAC5-chloro-N-(2-fluorophenyl)-N-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
SMILESCN(C(=O)c1nc(-c2cnn3ccccc23)c(Cl)s1)c1ccccc1F
InChIInChI=1S/C18H12ClFN4OS/c1-23(14-8-3-2-6-12(14)20)18(25)17-22-15(16(19)26-17)11-10-21-24-9-5-4-7-13(11)24/h2-10H,1H3
InChIKeyGSMDRNAQUQBQNK-UHFFFAOYSA-N
MW386.84 g/mol
LogP4.53
Rot. Bonds3

About 5-chloro-N-(2-fluorophenyl)-N-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide

5-chloro-N-(2-fluorophenyl)-N-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (PubChem CID 44814960) has the molecular formula C18H12ClFN4OS and a molecular weight of 386.84 g/mol. Its IUPAC name is 5-chloro-N-(2-fluorophenyl)-N-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-fluorophenyl)-N-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
PubChem CID44814960
Molecular FormulaC18H12ClFN4OS
Molecular Weight386.84 g/mol
Exact Mass386.04
IUPAC Name5-chloro-N-(2-fluorophenyl)-N-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
SMILESCN(C(=O)c1nc(-c2cnn3ccccc23)c(Cl)s1)c1ccccc1F
InChIInChI=1S/C18H12ClFN4OS/c1-23(14-8-3-2-6-12(14)20)18(25)17-22-15(16(19)26-17)11-10-21-24-9-5-4-7-13(11)24/h2-10H,1H3
InChIKeyGSMDRNAQUQBQNK-UHFFFAOYSA-N
XLogP4.53
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-fluorophenyl)-N-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-fluorophenyl)-N-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (CID 44814960) is 5-chloro-N-(2-fluorophenyl)-N-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-fluorophenyl)-N-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-fluorophenyl)-N-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is CN(C(=O)c1nc(-c2cnn3ccccc23)c(Cl)s1)c1ccccc1F.
What is the InChIKey of 5-chloro-N-(2-fluorophenyl)-N-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The InChIKey is GSMDRNAQUQBQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4OS/c1-23(14-8-3-2-6-12(14)20)18(25)17-22-15(16(19)26-17)11-10-21-24-9-5-4-7-13(11)24/h2-10H,1H3.
What are the key properties of 5-chloro-N-(2-fluorophenyl)-N-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
5-chloro-N-(2-fluorophenyl)-N-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide has a molecular weight of 386.84 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-fluorophenyl)-N-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 44814960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).