4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide

C21H20N8O2 — CID 57378389

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide
SMILESCc1cncc(-c2nc3cc(NC(=O)c4c(C(=O)N5CCC5)cnn4C)ccn3n2)c1
InChIInChI=1S/C21H20N8O2/c1-13-8-14(11-22-10-13)19-25-17-9-15(4-7-29(17)26-19)24-20(30)18-16(12-23-27(18)2)21(31)28-5-3-6-28/h4,7-12H,3,5-6H2,1-2H3,(H,24,30)
InChIKeyJPGFMSXVOZNJOW-UHFFFAOYSA-N
MW416.45 g/mol
LogP1.93
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide (PubChem CID 57378389) has the molecular formula C21H20N8O2 and a molecular weight of 416.45 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide
PubChem CID57378389
Molecular FormulaC21H20N8O2
Molecular Weight416.45 g/mol
Exact Mass416.17
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide
SMILESCc1cncc(-c2nc3cc(NC(=O)c4c(C(=O)N5CCC5)cnn4C)ccn3n2)c1
InChIInChI=1S/C21H20N8O2/c1-13-8-14(11-22-10-13)19-25-17-9-15(4-7-29(17)26-19)24-20(30)18-16(12-23-27(18)2)21(31)28-5-3-6-28/h4,7-12H,3,5-6H2,1-2H3,(H,24,30)
InChIKeyJPGFMSXVOZNJOW-UHFFFAOYSA-N
XLogP1.93
TPSA110.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide 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 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide (CID 57378389) is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide is Cc1cncc(-c2nc3cc(NC(=O)c4c(C(=O)N5CCC5)cnn4C)ccn3n2)c1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide?
The InChIKey is JPGFMSXVOZNJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O2/c1-13-8-14(11-22-10-13)19-25-17-9-15(4-7-29(17)26-19)24-20(30)18-16(12-23-27(18)2)21(31)28-5-3-6-28/h4,7-12H,3,5-6H2,1-2H3,(H,24,30).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 57378389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).