N-[[6-[[cyclohexyl(formyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

C25H26N6O3 — CID 155167728

About N-[[6-[[cyclohexyl(formyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

N-[[6-[[cyclohexyl(formyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 155167728) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[[6-[[cyclohexyl(formyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[6-[[cyclohexyl(formyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
• PubChem CID: 155167728
• Molecular Formula: C25H26N6O3
• Molecular Weight: 458.52 g/mol
• Exact Mass: 458.21
• IUPAC Name: N-[[6-[[cyclohexyl(formyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
• SMILES: O=CN(Cc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1)C1CCCCC1
• InChI: InChI=1S/C25H26N6O3/c32-17-30(20-6-2-1-3-7-20)15-18-9-10-22-27-19(16-29(22)14-18)13-26-25(34)21-12-24(33)31-11-5-4-8-23(31)28-21/h4-5,8-12,14,16-17,20H,1-3,6-7,13,15H2,(H,26,34)
• InChIKey: YGMDOOBWDFGHEX-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 101.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.52
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[6-[[cyclohexyl(formyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?

The IUPAC name of N-[[6-[[cyclohexyl(formyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 155167728) is N-[[6-[[cyclohexyl(formyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[[6-[[cyclohexyl(formyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-[[6-[[cyclohexyl(formyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is O=CN(Cc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1)C1CCCCC1.

What is the InChIKey of N-[[6-[[cyclohexyl(formyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?

The InChIKey is YGMDOOBWDFGHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c32-17-30(20-6-2-1-3-7-20)15-18-9-10-22-27-19(16-29(22)14-18)13-26-25(34)21-12-24(33)31-11-5-4-8-23(31)28-21/h4-5,8-12,14,16-17,20H,1-3,6-7,13,15H2,(H,26,34).

What are the key properties of N-[[6-[[cyclohexyl(formyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?

N-[[6-[[cyclohexyl(formyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[[cyclohexyl(formyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 155167728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).