4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide

C18H16N8O2S — CID 71537578

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccc2nc(-c3cscn3)nn2c1
InChIInChI=1S/C18H16N8O2S/c1-24-15(12(7-20-24)18(28)25-5-2-6-25)17(27)21-11-3-4-14-22-16(23-26(14)8-11)13-9-29-10-19-13/h3-4,7-10H,2,5-6H2,1H3,(H,21,27)
InChIKeySFFJRSQGJHUEPH-UHFFFAOYSA-N
MW408.45 g/mol
LogP1.68
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide (PubChem CID 71537578) has the molecular formula C18H16N8O2S and a molecular weight of 408.45 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide
PubChem CID71537578
Molecular FormulaC18H16N8O2S
Molecular Weight408.45 g/mol
Exact Mass408.11
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccc2nc(-c3cscn3)nn2c1
InChIInChI=1S/C18H16N8O2S/c1-24-15(12(7-20-24)18(28)25-5-2-6-25)17(27)21-11-3-4-14-22-16(23-26(14)8-11)13-9-29-10-19-13/h3-4,7-10H,2,5-6H2,1H3,(H,21,27)
InChIKeySFFJRSQGJHUEPH-UHFFFAOYSA-N
XLogP1.68
TPSA110.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide (CID 71537578) is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccc2nc(-c3cscn3)nn2c1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide?
The InChIKey is SFFJRSQGJHUEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O2S/c1-24-15(12(7-20-24)18(28)25-5-2-6-25)17(27)21-11-3-4-14-22-16(23-26(14)8-11)13-9-29-10-19-13/h3-4,7-10H,2,5-6H2,1H3,(H,21,27).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide has a molecular weight of 408.45 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 71537578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).