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

C21H20N8O2 — CID 57378388

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide
SMILESCc1cc(-c2nc3cc(NC(=O)c4c(C(=O)N5CCC5)cnn4C)ccn3n2)ccn1
InChIInChI=1S/C21H20N8O2/c1-13-10-14(4-6-22-13)19-25-17-11-15(5-9-29(17)26-19)24-20(30)18-16(12-23-27(18)2)21(31)28-7-3-8-28/h4-6,9-12H,3,7-8H2,1-2H3,(H,24,30)
InChIKeyIHTFRMHQYZODDP-UHFFFAOYSA-N
MW416.45 g/mol
LogP1.93
Rot. Bonds4

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

4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide (PubChem CID 57378388) 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-(2-methyl-4-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-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide
PubChem CID57378388
Molecular FormulaC21H20N8O2
Molecular Weight416.45 g/mol
Exact Mass416.17
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide
SMILESCc1cc(-c2nc3cc(NC(=O)c4c(C(=O)N5CCC5)cnn4C)ccn3n2)ccn1
InChIInChI=1S/C21H20N8O2/c1-13-10-14(4-6-22-13)19-25-17-11-15(5-9-29(17)26-19)24-20(30)18-16(12-23-27(18)2)21(31)28-7-3-8-28/h4-6,9-12H,3,7-8H2,1-2H3,(H,24,30)
InChIKeyIHTFRMHQYZODDP-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

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-methyl-4-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-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide (CID 57378388) is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-methyl-4-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-(2-methyl-4-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-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide is Cc1cc(-c2nc3cc(NC(=O)c4c(C(=O)N5CCC5)cnn4C)ccn3n2)ccn1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide?
The InChIKey is IHTFRMHQYZODDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O2/c1-13-10-14(4-6-22-13)19-25-17-11-15(5-9-29(17)26-19)24-20(30)18-16(12-23-27(18)2)21(31)28-7-3-8-28/h4-6,9-12H,3,7-8H2,1-2H3,(H,24,30).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-methyl-4-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-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 57378388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).