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

C21H19N7O2 — CID 71506857

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccc2nc(-c3ccccc3)nn2c1
InChIInChI=1S/C21H19N7O2/c1-26-18(16(12-22-26)21(30)27-10-5-11-27)20(29)23-15-8-9-17-24-19(25-28(17)13-15)14-6-3-2-4-7-14/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,23,29)
InChIKeyLZWQQWMUGNGXJO-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.23
Rot. Bonds4

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

4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide (PubChem CID 71506857) has the molecular formula C21H19N7O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
PubChem CID71506857
Molecular FormulaC21H19N7O2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccc2nc(-c3ccccc3)nn2c1
InChIInChI=1S/C21H19N7O2/c1-26-18(16(12-22-26)21(30)27-10-5-11-27)20(29)23-15-8-9-17-24-19(25-28(17)13-15)14-6-3-2-4-7-14/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,23,29)
InChIKeyLZWQQWMUGNGXJO-UHFFFAOYSA-N
XLogP2.23
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 57377957
4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide
CID 71538143
4-(azetidine-1-carbonyl)-N-[2-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414914
methyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate
CID 57378953
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 71288606
4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-5-carboxamide
CID 165415447
4-(azetidine-1-carbonyl)-N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57377746
4-N-ethyl-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
CID 57377301
4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 57378287
6-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 89464835
4-(azetidine-1-carbonyl)-N-(2-bromo-6-methyl-4-pyridinyl)-1-methylpyrazole-5-carboxamide
CID 165415448
4-(azetidine-1-carbonyl)-N-[2-(2-hydroxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 158629431

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[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-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide (CID 71506857) is 4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[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-phenyl-[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-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccc2nc(-c3ccccc3)nn2c1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide?
The InChIKey is LZWQQWMUGNGXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2/c1-26-18(16(12-22-26)21(30)27-10-5-11-27)20(29)23-15-8-9-17-24-19(25-28(17)13-15)14-6-3-2-4-7-14/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,23,29).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 2.23, 4 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-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 71506857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).