N-ethyl-2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N-methylacetamide

C32H34FN7O — CID 58824642

About N-ethyl-2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N-methylacetamide

N-ethyl-2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N-methylacetamide (PubChem CID 58824642) has the molecular formula C32H34FN7O and a molecular weight of 551.67 g/mol. Its IUPAC name is N-ethyl-2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N-methylacetamide.

Molecular Properties

• Compound Name: N-ethyl-2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N-methylacetamide
• PubChem CID: 58824642
• Molecular Formula: C32H34FN7O
• Molecular Weight: 551.67 g/mol
• Exact Mass: 551.28
• IUPAC Name: N-ethyl-2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N-methylacetamide
• SMILES: CCN(C)C(=O)CN(C)Cc1ccn2c(-c3ccnc(N[C@@H](C)c4ccccc4)n3)c(-c3ccc(F)cc3)nc2c1
• InChI: InChI=1S/C32H34FN7O/c1-5-39(4)29(41)21-38(3)20-23-16-18-40-28(19-23)37-30(25-11-13-26(33)14-12-25)31(40)27-15-17-34-32(36-27)35-22(2)24-9-7-6-8-10-24/h6-19,22H,5,20-21H2,1-4H3,(H,34,35,36)/t22-/m0/s1
• InChIKey: ZSNFDBFXDPCHKN-QFIPXVFZSA-N
• XLogP: 5.68
• TPSA: 78.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.67
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N-methylacetamide?

The IUPAC name of N-ethyl-2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N-methylacetamide (CID 58824642) is N-ethyl-2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N-methylacetamide.

What is the SMILES notation for N-ethyl-2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N-methylacetamide?

The canonical SMILES for N-ethyl-2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N-methylacetamide is CCN(C)C(=O)CN(C)Cc1ccn2c(-c3ccnc(N[C@@H](C)c4ccccc4)n3)c(-c3ccc(F)cc3)nc2c1.

What is the InChIKey of N-ethyl-2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N-methylacetamide?

The InChIKey is ZSNFDBFXDPCHKN-QFIPXVFZSA-N. The full InChI is InChI=1S/C32H34FN7O/c1-5-39(4)29(41)21-38(3)20-23-16-18-40-28(19-23)37-30(25-11-13-26(33)14-12-25)31(40)27-15-17-34-32(36-27)35-22(2)24-9-7-6-8-10-24/h6-19,22H,5,20-21H2,1-4H3,(H,34,35,36)/t22-/m0/s1.

What are the key properties of N-ethyl-2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N-methylacetamide?

N-ethyl-2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N-methylacetamide has a molecular weight of 551.67 g/mol, XLogP of 5.68, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 58824642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).