N-[[1-[2-(cyclohexen-1-yl)-2-[2-(methylamino)propanoylamino]acetyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide

C32H39F2N7O3 — CID 123654665

About N-[[1-[2-(cyclohexen-1-yl)-2-[2-(methylamino)propanoylamino]acetyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide

N-[[1-[2-(cyclohexen-1-yl)-2-[2-(methylamino)propanoylamino]acetyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 123654665) has the molecular formula C32H39F2N7O3 and a molecular weight of 607.71 g/mol. Its IUPAC name is N-[[1-[2-(cyclohexen-1-yl)-2-[2-(methylamino)propanoylamino]acetyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[1-[2-(cyclohexen-1-yl)-2-[2-(methylamino)propanoylamino]acetyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
• PubChem CID: 123654665
• Molecular Formula: C32H39F2N7O3
• Molecular Weight: 607.71 g/mol
• Exact Mass: 607.31
• IUPAC Name: N-[[1-[2-(cyclohexen-1-yl)-2-[2-(methylamino)propanoylamino]acetyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
• SMILES: CNC(C)C(=O)NC(C(=O)N1CCCC1CN(CCc1ccc(F)cc1)C(=O)c1cn2cc(F)cnc2n1)C1=CCCCC1
• InChI: InChI=1S/C32H39F2N7O3/c1-21(35-2)29(42)38-28(23-7-4-3-5-8-23)31(44)41-15-6-9-26(41)19-39(16-14-22-10-12-24(33)13-11-22)30(43)27-20-40-18-25(34)17-36-32(40)37-27/h7,10-13,17-18,20-21,26,28,35H,3-6,8-9,14-16,19H2,1-2H3,(H,38,42)
• InChIKey: KFGGOTLAXAWMHD-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 111.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.71
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(cyclohexen-1-yl)-2-[2-(methylamino)propanoylamino]acetyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide?

The IUPAC name of N-[[1-[2-(cyclohexen-1-yl)-2-[2-(methylamino)propanoylamino]acetyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide (CID 123654665) is N-[[1-[2-(cyclohexen-1-yl)-2-[2-(methylamino)propanoylamino]acetyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[[1-[2-(cyclohexen-1-yl)-2-[2-(methylamino)propanoylamino]acetyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-[[1-[2-(cyclohexen-1-yl)-2-[2-(methylamino)propanoylamino]acetyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide is CNC(C)C(=O)NC(C(=O)N1CCCC1CN(CCc1ccc(F)cc1)C(=O)c1cn2cc(F)cnc2n1)C1=CCCCC1.

What is the InChIKey of N-[[1-[2-(cyclohexen-1-yl)-2-[2-(methylamino)propanoylamino]acetyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide?

The InChIKey is KFGGOTLAXAWMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39F2N7O3/c1-21(35-2)29(42)38-28(23-7-4-3-5-8-23)31(44)41-15-6-9-26(41)19-39(16-14-22-10-12-24(33)13-11-22)30(43)27-20-40-18-25(34)17-36-32(40)37-27/h7,10-13,17-18,20-21,26,28,35H,3-6,8-9,14-16,19H2,1-2H3,(H,38,42).

What are the key properties of N-[[1-[2-(cyclohexen-1-yl)-2-[2-(methylamino)propanoylamino]acetyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide?

N-[[1-[2-(cyclohexen-1-yl)-2-[2-(methylamino)propanoylamino]acetyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 607.71 g/mol, XLogP of 3.28, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[2-(cyclohexen-1-yl)-2-[2-(methylamino)propanoylamino]acetyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 123654665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).