2-[3-[benzyl(methyl)amino]propyl]-N-cyclohexyl-3,7-dimethyl-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C30H42N4O2 — CID 71172077

About 2-[3-[benzyl(methyl)amino]propyl]-N-cyclohexyl-3,7-dimethyl-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

2-[3-[benzyl(methyl)amino]propyl]-N-cyclohexyl-3,7-dimethyl-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 71172077) has the molecular formula C30H42N4O2 and a molecular weight of 490.69 g/mol. Its IUPAC name is 2-[3-[benzyl(methyl)amino]propyl]-N-cyclohexyl-3,7-dimethyl-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[3-[benzyl(methyl)amino]propyl]-N-cyclohexyl-3,7-dimethyl-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
• PubChem CID: 71172077
• Molecular Formula: C30H42N4O2
• Molecular Weight: 490.69 g/mol
• Exact Mass: 490.33
• IUPAC Name: 2-[3-[benzyl(methyl)amino]propyl]-N-cyclohexyl-3,7-dimethyl-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
• SMILES: C/C=C\c1c(C)cc2n1CC(C)(C(=O)NC1CCCCC1)N(CCCN(C)Cc1ccccc1)C2=O
• InChI: InChI=1S/C30H42N4O2/c1-5-13-26-23(2)20-27-28(35)34(19-12-18-32(4)21-24-14-8-6-9-15-24)30(3,22-33(26)27)29(36)31-25-16-10-7-11-17-25/h5-6,8-9,13-15,20,25H,7,10-12,16-19,21-22H2,1-4H3,(H,31,36)/b13-5-
• InChIKey: SOEINGKZDKXHAU-ACAGNQJTSA-N
• XLogP: 5.02
• TPSA: 57.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.69
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-[benzyl(methyl)amino]propyl]-N-cyclohexyl-3,7-dimethyl-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?

The IUPAC name of 2-[3-[benzyl(methyl)amino]propyl]-N-cyclohexyl-3,7-dimethyl-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 71172077) is 2-[3-[benzyl(methyl)amino]propyl]-N-cyclohexyl-3,7-dimethyl-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

What is the SMILES notation for 2-[3-[benzyl(methyl)amino]propyl]-N-cyclohexyl-3,7-dimethyl-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?

The canonical SMILES for 2-[3-[benzyl(methyl)amino]propyl]-N-cyclohexyl-3,7-dimethyl-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is C/C=C\c1c(C)cc2n1CC(C)(C(=O)NC1CCCCC1)N(CCCN(C)Cc1ccccc1)C2=O.

What is the InChIKey of 2-[3-[benzyl(methyl)amino]propyl]-N-cyclohexyl-3,7-dimethyl-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?

The InChIKey is SOEINGKZDKXHAU-ACAGNQJTSA-N. The full InChI is InChI=1S/C30H42N4O2/c1-5-13-26-23(2)20-27-28(35)34(19-12-18-32(4)21-24-14-8-6-9-15-24)30(3,22-33(26)27)29(36)31-25-16-10-7-11-17-25/h5-6,8-9,13-15,20,25H,7,10-12,16-19,21-22H2,1-4H3,(H,31,36)/b13-5-.

What are the key properties of 2-[3-[benzyl(methyl)amino]propyl]-N-cyclohexyl-3,7-dimethyl-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?

2-[3-[benzyl(methyl)amino]propyl]-N-cyclohexyl-3,7-dimethyl-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 490.69 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[benzyl(methyl)amino]propyl]-N-cyclohexyl-3,7-dimethyl-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 71172077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).