N-[[1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide

C32H41FN6O3 — CID 129043909

About N-[[1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide

N-[[1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 129043909) has the molecular formula C32H41FN6O3 and a molecular weight of 576.72 g/mol. Its IUPAC name is N-[[1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 129043909
• Molecular Formula: C32H41FN6O3
• Molecular Weight: 576.72 g/mol
• Exact Mass: 576.32
• IUPAC Name: N-[[1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
• SMILES: CNCC(=O)NC(C(=O)N1CCCC1CN(CCc1ccc(F)cc1)C(=O)c1cn2ccccc2n1)C1CCCCC1
• InChI: InChI=1S/C32H41FN6O3/c1-34-20-29(40)36-30(24-8-3-2-4-9-24)32(42)39-18-7-10-26(39)21-38(19-16-23-12-14-25(33)15-13-23)31(41)27-22-37-17-6-5-11-28(37)35-27/h5-6,11-15,17,22,24,26,30,34H,2-4,7-10,16,18-21H2,1H3,(H,36,40)
• InChIKey: ZURRVHGSOFWOCP-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 99.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.72
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of N-[[1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 129043909) is N-[[1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for N-[[1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for N-[[1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide is CNCC(=O)NC(C(=O)N1CCCC1CN(CCc1ccc(F)cc1)C(=O)c1cn2ccccc2n1)C1CCCCC1.

What is the InChIKey of N-[[1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is ZURRVHGSOFWOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41FN6O3/c1-34-20-29(40)36-30(24-8-3-2-4-9-24)32(42)39-18-7-10-26(39)21-38(19-16-23-12-14-25(33)15-13-23)31(41)27-22-37-17-6-5-11-28(37)35-27/h5-6,11-15,17,22,24,26,30,34H,2-4,7-10,16,18-21H2,1H3,(H,36,40).

What are the key properties of N-[[1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?

N-[[1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 576.72 g/mol, XLogP of 3.43, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 129043909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).