1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[3-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione

C51H46N16O6 — CID 123878414

About 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[3-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione

1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[3-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione (PubChem CID 123878414) has the molecular formula C51H46N16O6 and a molecular weight of 979.03 g/mol. Its IUPAC name is 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[3-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione.

Molecular Properties

• Compound Name: 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[3-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione
• PubChem CID: 123878414
• Molecular Formula: C51H46N16O6
• Molecular Weight: 979.03 g/mol
• Exact Mass: 978.38
• IUPAC Name: 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[3-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione
• SMILES: COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCn4c(-c5cccc(C)c5)cnc4C3)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCn4c(-c5ccccc5)cnc4C3)c12
• InChI: InChI=1S/C26H24N8O3.C25H22N8O3/c1-15-5-4-6-17(9-15)19-11-27-21-13-32(7-8-33(19)21)26(36)24(35)18-10-28-23-22(18)20(37-3)12-29-25(23)34-14-30-16(2)31-34;1-15-29-14-33(30-15)24-22-21(19(36-2)12-28-24)17(10-27-22)23(34)25(35)31-8-9-32-18(11-26-20(32)13-31)16-6-4-3-5-7-16/h4-6,9-12,14,28H,7-8,13H2,1-3H3;3-7,10-12,14,27H,8-9,13H2,1-2H3
• InChIKey: OIXUMRKJNFDUGL-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 247.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	979.03
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[3-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione?

The IUPAC name of 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[3-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione (CID 123878414) is 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[3-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione.

What is the SMILES notation for 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[3-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione?

The canonical SMILES for 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[3-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione is COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCn4c(-c5cccc(C)c5)cnc4C3)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCn4c(-c5ccccc5)cnc4C3)c12.

What is the InChIKey of 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[3-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione?

The InChIKey is OIXUMRKJNFDUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O3.C25H22N8O3/c1-15-5-4-6-17(9-15)19-11-27-21-13-32(7-8-33(19)21)26(36)24(35)18-10-28-23-22(18)20(37-3)12-29-25(23)34-14-30-16(2)31-34;1-15-29-14-33(30-15)24-22-21(19(36-2)12-28-24)17(10-27-22)23(34)25(35)31-8-9-32-18(11-26-20(32)13-31)16-6-4-3-5-7-16/h4-6,9-12,14,28H,7-8,13H2,1-3H3;3-7,10-12,14,27H,8-9,13H2,1-2H3.

What are the key properties of 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[3-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione?

1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[3-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione has a molecular weight of 979.03 g/mol, XLogP of 5.41, 10 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[3-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione is sourced from PubChem (CID 123878414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).