3-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxamide

C21H21N5O2 — CID 144756223

About 3-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxamide

3-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 144756223) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 144756223
• Molecular Formula: C21H21N5O2
• Molecular Weight: 375.43 g/mol
• Exact Mass: 375.17
• IUPAC Name: 3-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: Cc1ccc(-c2nc3ccc(C(=O)NCCc4cnc[nH]4)cn3c2CO)cc1
• InChI: InChI=1S/C21H21N5O2/c1-14-2-4-15(5-3-14)20-18(12-27)26-11-16(6-7-19(26)25-20)21(28)23-9-8-17-10-22-13-24-17/h2-7,10-11,13,27H,8-9,12H2,1H3,(H,22,24)(H,23,28)
• InChIKey: PEPBSOBSTJXATH-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 95.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.43
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of 3-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 144756223) is 3-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for 3-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for 3-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxamide is Cc1ccc(-c2nc3ccc(C(=O)NCCc4cnc[nH]4)cn3c2CO)cc1.

What is the InChIKey of 3-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is PEPBSOBSTJXATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14-2-4-15(5-3-14)20-18(12-27)26-11-16(6-7-19(26)25-20)21(28)23-9-8-17-10-22-13-24-17/h2-7,10-11,13,27H,8-9,12H2,1H3,(H,22,24)(H,23,28).

What are the key properties of 3-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxamide?

3-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 144756223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).