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

C16H16N8O2 — CID 165415278

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-(1-pyrazin-2-ylimidazol-4-yl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cn(-c2cnccn2)cn1
InChIInChI=1S/C16H16N8O2/c1-22-14(11(7-20-22)16(26)23-5-2-6-23)15(25)21-12-9-24(10-19-12)13-8-17-3-4-18-13/h3-4,7-10H,2,5-6H2,1H3,(H,21,25)
InChIKeyRACIIVIOLHQMRY-UHFFFAOYSA-N
MW352.36 g/mol
LogP0.49
Rot. Bonds4

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

4-(azetidine-1-carbonyl)-1-methyl-N-(1-pyrazin-2-ylimidazol-4-yl)pyrazole-5-carboxamide (PubChem CID 165415278) has the molecular formula C16H16N8O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-(1-pyrazin-2-ylimidazol-4-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-(1-pyrazin-2-ylimidazol-4-yl)pyrazole-5-carboxamide
PubChem CID165415278
Molecular FormulaC16H16N8O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-(1-pyrazin-2-ylimidazol-4-yl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cn(-c2cnccn2)cn1
InChIInChI=1S/C16H16N8O2/c1-22-14(11(7-20-22)16(26)23-5-2-6-23)15(25)21-12-9-24(10-19-12)13-8-17-3-4-18-13/h3-4,7-10H,2,5-6H2,1H3,(H,21,25)
InChIKeyRACIIVIOLHQMRY-UHFFFAOYSA-N
XLogP0.49
TPSA110.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 50.49
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-(1-pyrazin-2-ylimidazol-4-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-(1-pyrazin-2-ylimidazol-4-yl)pyrazole-5-carboxamide (CID 165415278) is 4-(azetidine-1-carbonyl)-1-methyl-N-(1-pyrazin-2-ylimidazol-4-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-(1-pyrazin-2-ylimidazol-4-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-(1-pyrazin-2-ylimidazol-4-yl)pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cn(-c2cnccn2)cn1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-(1-pyrazin-2-ylimidazol-4-yl)pyrazole-5-carboxamide?
The InChIKey is RACIIVIOLHQMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8O2/c1-22-14(11(7-20-22)16(26)23-5-2-6-23)15(25)21-12-9-24(10-19-12)13-8-17-3-4-18-13/h3-4,7-10H,2,5-6H2,1H3,(H,21,25).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-(1-pyrazin-2-ylimidazol-4-yl)pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-(1-pyrazin-2-ylimidazol-4-yl)pyrazole-5-carboxamide has a molecular weight of 352.36 g/mol, XLogP of 0.49, 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-(1-pyrazin-2-ylimidazol-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 165415278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).