4-(azetidine-1-carbonyl)-1-methyl-N-(1-pyridin-2-ylimidazol-4-yl)pyrazole-5-carboxamide

C17H17N7O2 — CID 165415247

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-(1-pyridin-2-ylimidazol-4-yl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cn(-c2ccccn2)cn1
InChIInChI=1S/C17H17N7O2/c1-22-15(12(9-20-22)17(26)23-7-4-8-23)16(25)21-13-10-24(11-19-13)14-5-2-3-6-18-14/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,21,25)
InChIKeyMAGJGSXFSTVFJV-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.10
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-1-methyl-N-(1-pyridin-2-ylimidazol-4-yl)pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-(1-pyridin-2-ylimidazol-4-yl)pyrazole-5-carboxamide (PubChem CID 165415247) has the molecular formula C17H17N7O2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-(1-pyridin-2-ylimidazol-4-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-(1-pyridin-2-ylimidazol-4-yl)pyrazole-5-carboxamide
PubChem CID165415247
Molecular FormulaC17H17N7O2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-(1-pyridin-2-ylimidazol-4-yl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cn(-c2ccccn2)cn1
InChIInChI=1S/C17H17N7O2/c1-22-15(12(9-20-22)17(26)23-7-4-8-23)16(25)21-13-10-24(11-19-13)14-5-2-3-6-18-14/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,21,25)
InChIKeyMAGJGSXFSTVFJV-UHFFFAOYSA-N
XLogP1.10
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.10
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-(1-pyridin-2-ylimidazol-4-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-(1-pyridin-2-ylimidazol-4-yl)pyrazole-5-carboxamide (CID 165415247) is 4-(azetidine-1-carbonyl)-1-methyl-N-(1-pyridin-2-ylimidazol-4-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-(1-pyridin-2-ylimidazol-4-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-(1-pyridin-2-ylimidazol-4-yl)pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cn(-c2ccccn2)cn1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-(1-pyridin-2-ylimidazol-4-yl)pyrazole-5-carboxamide?
The InChIKey is MAGJGSXFSTVFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O2/c1-22-15(12(9-20-22)17(26)23-7-4-8-23)16(25)21-13-10-24(11-19-13)14-5-2-3-6-18-14/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,21,25).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-(1-pyridin-2-ylimidazol-4-yl)pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-(1-pyridin-2-ylimidazol-4-yl)pyrazole-5-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 1.10, 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-(1-pyridin-2-ylimidazol-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 165415247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).