3-benzyl-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;N-(4-methylphenyl)-3-[3-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C86H81N17O10 — CID 158512634

About 3-benzyl-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;N-(4-methylphenyl)-3-[3-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

3-benzyl-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;N-(4-methylphenyl)-3-[3-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 158512634) has the molecular formula C86H81N17O10 and a molecular weight of 1512.70 g/mol. Its IUPAC name is 3-benzyl-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;N-(4-methylphenyl)-3-[3-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: 3-benzyl-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;N-(4-methylphenyl)-3-[3-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 158512634
• Molecular Formula: C86H81N17O10
• Molecular Weight: 1512.70 g/mol
• Exact Mass: 1511.64
• IUPAC Name: 3-benzyl-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;N-(4-methylphenyl)-3-[3-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: C=CC(=O)Cc1cc(NC(=O)c2nc(Cc3ccccc3)n3c2CN(C(=O)c2ccc[nH]2)CC3)ccc1OC.C=CC(=O)Nc1ccc(NC(=O)c2nc(Cc3ccccc3)n3c2CN(C(=O)c2ccc[nH]2)CC3)cc1.C=CC(=O)Nc1cccc(-c2nc(C(=O)Nc3ccc(C)cc3)c3n2CCN(C(=O)c2ccc[nH]2)C3)c1
• InChI: InChI=1S/C30H29N5O4.2C28H26N6O3/c1-3-23(36)18-21-17-22(11-12-26(21)39-2)32-29(37)28-25-19-34(30(38)24-10-7-13-31-24)14-15-35(25)27(33-28)16-20-8-5-4-6-9-20;1-3-24(35)30-21-7-4-6-19(16-21)26-32-25(27(36)31-20-11-9-18(2)10-12-20)23-17-33(14-15-34(23)26)28(37)22-8-5-13-29-22;1-2-25(35)30-20-10-12-21(13-11-20)31-27(36)26-23-18-33(28(37)22-9-6-14-29-22)15-16-34(23)24(32-26)17-19-7-4-3-5-8-19/h3-13,17,31H,1,14-16,18-19H2,2H3,(H,32,37);3-13,16,29H,1,14-15,17H2,2H3,(H,30,35)(H,31,36);2-14,29H,1,15-18H2,(H,30,35)(H,31,36)
• InChIKey: HLGAHSHJRFHXEI-UHFFFAOYSA-N
• XLogP: 12.07
• TPSA: 333.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1512.70
LogP ≤ 5	12.07
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;N-(4-methylphenyl)-3-[3-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The IUPAC name of 3-benzyl-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;N-(4-methylphenyl)-3-[3-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 158512634) is 3-benzyl-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;N-(4-methylphenyl)-3-[3-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

What is the SMILES notation for 3-benzyl-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;N-(4-methylphenyl)-3-[3-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The canonical SMILES for 3-benzyl-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;N-(4-methylphenyl)-3-[3-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is C=CC(=O)Cc1cc(NC(=O)c2nc(Cc3ccccc3)n3c2CN(C(=O)c2ccc[nH]2)CC3)ccc1OC.C=CC(=O)Nc1ccc(NC(=O)c2nc(Cc3ccccc3)n3c2CN(C(=O)c2ccc[nH]2)CC3)cc1.C=CC(=O)Nc1cccc(-c2nc(C(=O)Nc3ccc(C)cc3)c3n2CCN(C(=O)c2ccc[nH]2)C3)c1.

What is the InChIKey of 3-benzyl-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;N-(4-methylphenyl)-3-[3-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The InChIKey is HLGAHSHJRFHXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O4.2C28H26N6O3/c1-3-23(36)18-21-17-22(11-12-26(21)39-2)32-29(37)28-25-19-34(30(38)24-10-7-13-31-24)14-15-35(25)27(33-28)16-20-8-5-4-6-9-20;1-3-24(35)30-21-7-4-6-19(16-21)26-32-25(27(36)31-20-11-9-18(2)10-12-20)23-17-33(14-15-34(23)26)28(37)22-8-5-13-29-22;1-2-25(35)30-20-10-12-21(13-11-20)31-27(36)26-23-18-33(28(37)22-9-6-14-29-22)15-16-34(23)24(32-26)17-19-7-4-3-5-8-19/h3-13,17,31H,1,14-16,18-19H2,2H3,(H,32,37);3-13,16,29H,1,14-15,17H2,2H3,(H,30,35)(H,31,36);2-14,29H,1,15-18H2,(H,30,35)(H,31,36).

What are the key properties of 3-benzyl-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;N-(4-methylphenyl)-3-[3-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

3-benzyl-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;N-(4-methylphenyl)-3-[3-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 1512.70 g/mol, XLogP of 12.07, 22 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzyl-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-benzyl-N-[4-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;N-(4-methylphenyl)-3-[3-(prop-2-enoylamino)phenyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 158512634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).