4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazole-5-carboxamide

C20H23N7O2 — CID 71288581

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazole-5-carboxamide
SMILESCn1cc(-c2cccnc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C
InChIInChI=1S/C20H23N7O2/c1-25-13-16(14-5-3-7-21-11-14)24-17(25)6-8-22-19(28)18-15(12-23-26(18)2)20(29)27-9-4-10-27/h3,5,7,11-13H,4,6,8-10H2,1-2H3,(H,22,28)
InChIKeyOVVUZZCHHLGJKY-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.03
Rot. Bonds6

About 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 71288581) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazole-5-carboxamide
PubChem CID71288581
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazole-5-carboxamide
SMILESCn1cc(-c2cccnc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C
InChIInChI=1S/C20H23N7O2/c1-25-13-16(14-5-3-7-21-11-14)24-17(25)6-8-22-19(28)18-15(12-23-26(18)2)20(29)27-9-4-10-27/h3,5,7,11-13H,4,6,8-10H2,1-2H3,(H,22,28)
InChIKeyOVVUZZCHHLGJKY-UHFFFAOYSA-N
XLogP1.03
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazole-5-carboxamide (CID 71288581) is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazole-5-carboxamide is Cn1cc(-c2cccnc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is OVVUZZCHHLGJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-25-13-16(14-5-3-7-21-11-14)24-17(25)6-8-22-19(28)18-15(12-23-26(18)2)20(29)27-9-4-10-27/h3,5,7,11-13H,4,6,8-10H2,1-2H3,(H,22,28).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 1.03, 6 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-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 71288581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).