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

C17H19N7O2 — CID 71288617

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc2ccccn2n1
InChIInChI=1S/C17H19N7O2/c1-22-15(12(11-19-22)17(26)23-8-4-9-23)16(25)18-7-6-13-20-14-5-2-3-10-24(14)21-13/h2-3,5,10-11H,4,6-9H2,1H3,(H,18,25)
InChIKeyXGUFKKRFNIARDR-UHFFFAOYSA-N
MW353.39 g/mol
LogP0.28
Rot. Bonds5

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

4-(azetidine-1-carbonyl)-1-methyl-N-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 71288617) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide
PubChem CID71288617
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc2ccccn2n1
InChIInChI=1S/C17H19N7O2/c1-22-15(12(11-19-22)17(26)23-8-4-9-23)16(25)18-7-6-13-20-14-5-2-3-10-24(14)21-13/h2-3,5,10-11H,4,6-9H2,1H3,(H,18,25)
InChIKeyXGUFKKRFNIARDR-UHFFFAOYSA-N
XLogP0.28
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide (CID 71288617) is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc2ccccn2n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is XGUFKKRFNIARDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-22-15(12(11-19-22)17(26)23-8-4-9-23)16(25)18-7-6-13-20-14-5-2-3-10-24(14)21-13/h2-3,5,10-11H,4,6-9H2,1H3,(H,18,25).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 71288617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).