N-[4-[(4-propyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide

C21H27N7O2 — CID 169414248

IUPACN-[4-[(4-propyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCCn1cnnc1CNC(=O)C1CCC(NC(=O)c2ccc3nccn3c2)CC1
InChIInChI=1S/C21H27N7O2/c1-2-10-28-14-24-26-19(28)12-23-20(29)15-3-6-17(7-4-15)25-21(30)16-5-8-18-22-9-11-27(18)13-16/h5,8-9,11,13-15,17H,2-4,6-7,10,12H2,1H3,(H,23,29)(H,25,30)
InChIKeyUBFGGPHDQSLNHO-UHFFFAOYSA-N
MW409.49 g/mol
LogP1.94
Rot. Bonds7

About N-[4-[(4-propyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[4-[(4-propyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 169414248) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[4-[(4-propyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-propyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID169414248
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC NameN-[4-[(4-propyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCCn1cnnc1CNC(=O)C1CCC(NC(=O)c2ccc3nccn3c2)CC1
InChIInChI=1S/C21H27N7O2/c1-2-10-28-14-24-26-19(28)12-23-20(29)15-3-6-17(7-4-15)25-21(30)16-5-8-18-22-9-11-27(18)13-16/h5,8-9,11,13-15,17H,2-4,6-7,10,12H2,1H3,(H,23,29)(H,25,30)
InChIKeyUBFGGPHDQSLNHO-UHFFFAOYSA-N
XLogP1.94
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[(4-propyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclohexyl]imidazo[1,2-a]pyridine-6-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 N-[4-[(4-propyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[4-[(4-propyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 169414248) is N-[4-[(4-propyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[4-[(4-propyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[4-[(4-propyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide is CCCn1cnnc1CNC(=O)C1CCC(NC(=O)c2ccc3nccn3c2)CC1.
What is the InChIKey of N-[4-[(4-propyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is UBFGGPHDQSLNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O2/c1-2-10-28-14-24-26-19(28)12-23-20(29)15-3-6-17(7-4-15)25-21(30)16-5-8-18-22-9-11-27(18)13-16/h5,8-9,11,13-15,17H,2-4,6-7,10,12H2,1H3,(H,23,29)(H,25,30).
What are the key properties of N-[4-[(4-propyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[4-[(4-propyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-propyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 169414248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).