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

C21H19N7O2 — CID 165368461

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-(1-quinolin-2-ylimidazol-4-yl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cn(-c2ccc3ccccc3n2)cn1
InChIInChI=1S/C21H19N7O2/c1-26-19(15(11-23-26)21(30)27-9-4-10-27)20(29)25-17-12-28(13-22-17)18-8-7-14-5-2-3-6-16(14)24-18/h2-3,5-8,11-13H,4,9-10H2,1H3,(H,25,29)
InChIKeyHLOIHBUUYVDORH-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.25
Rot. Bonds4

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

4-(azetidine-1-carbonyl)-1-methyl-N-(1-quinolin-2-ylimidazol-4-yl)pyrazole-5-carboxamide (PubChem CID 165368461) 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-(1-quinolin-2-ylimidazol-4-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-(1-quinolin-2-ylimidazol-4-yl)pyrazole-5-carboxamide
PubChem CID165368461
Molecular FormulaC21H19N7O2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-(1-quinolin-2-ylimidazol-4-yl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cn(-c2ccc3ccccc3n2)cn1
InChIInChI=1S/C21H19N7O2/c1-26-19(15(11-23-26)21(30)27-9-4-10-27)20(29)25-17-12-28(13-22-17)18-8-7-14-5-2-3-6-16(14)24-18/h2-3,5-8,11-13H,4,9-10H2,1H3,(H,25,29)
InChIKeyHLOIHBUUYVDORH-UHFFFAOYSA-N
XLogP2.25
TPSA97.94 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 ≤ 52.25
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-quinolin-2-ylimidazol-4-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-(1-quinolin-2-ylimidazol-4-yl)pyrazole-5-carboxamide (CID 165368461) is 4-(azetidine-1-carbonyl)-1-methyl-N-(1-quinolin-2-ylimidazol-4-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-(1-quinolin-2-ylimidazol-4-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-(1-quinolin-2-ylimidazol-4-yl)pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cn(-c2ccc3ccccc3n2)cn1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-(1-quinolin-2-ylimidazol-4-yl)pyrazole-5-carboxamide?
The InChIKey is HLOIHBUUYVDORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2/c1-26-19(15(11-23-26)21(30)27-9-4-10-27)20(29)25-17-12-28(13-22-17)18-8-7-14-5-2-3-6-16(14)24-18/h2-3,5-8,11-13H,4,9-10H2,1H3,(H,25,29).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-(1-quinolin-2-ylimidazol-4-yl)pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-(1-quinolin-2-ylimidazol-4-yl)pyrazole-5-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 2.25, 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-quinolin-2-ylimidazol-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 165368461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).