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

C77H71N25O10 — CID 123999376

About 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[3-(4-methoxyphenyl)-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-(2-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-(3-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-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-(4-methoxyphenyl)-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-(2-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-(3-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethane-1,2-dione (PubChem CID 123999376) has the molecular formula C77H71N25O10 and a molecular weight of 1506.58 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-(4-methoxyphenyl)-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-(2-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-(3-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-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-(4-methoxyphenyl)-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-(2-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-(3-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethane-1,2-dione
• PubChem CID: 123999376
• Molecular Formula: C77H71N25O10
• Molecular Weight: 1506.58 g/mol
• Exact Mass: 1505.58
• IUPAC Name: 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[3-(4-methoxyphenyl)-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-(2-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-(3-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethane-1,2-dione
• SMILES: COc1ccc(-c2cnc3n2CCN(C(=O)C(=O)c2c[nH]c4c(-n5cnc(C)n5)ncc(OC)c24)C3)cc1.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCn4c(-c5ccccc5C)cnc4C3)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCn4c(nnc4-c4cccc(C)c4)C3)c12
• InChI: InChI=1S/C26H24N8O4.C26H24N8O3.C25H23N9O3/c1-15-30-14-34(31-15)25-23-22(20(38-3)12-29-25)18(10-28-23)24(35)26(36)32-8-9-33-19(11-27-21(33)13-32)16-4-6-17(37-2)7-5-16;1-15-6-4-5-7-17(15)19-11-27-21-13-32(8-9-33(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;1-14-5-4-6-16(9-14)23-30-29-19-12-32(7-8-33(19)23)25(36)22(35)17-10-26-21-20(17)18(37-3)11-27-24(21)34-13-28-15(2)31-34/h4-7,10-12,14,28H,8-9,13H2,1-3H3;4-7,10-12,14,28H,8-9,13H2,1-3H3;4-6,9-11,13,26H,7-8,12H2,1-3H3
• InChIKey: FLMBRQFTXWDUQH-UHFFFAOYSA-N
• XLogP: 7.67
• TPSA: 393.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 16
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1506.58
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

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-(4-methoxyphenyl)-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-(2-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-(3-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-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-(4-methoxyphenyl)-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-(2-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-(3-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethane-1,2-dione (CID 123999376) is 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[3-(4-methoxyphenyl)-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-(2-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-(3-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-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-(4-methoxyphenyl)-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-(2-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-(3-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-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-(4-methoxyphenyl)-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-(2-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-(3-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethane-1,2-dione is COc1ccc(-c2cnc3n2CCN(C(=O)C(=O)c2c[nH]c4c(-n5cnc(C)n5)ncc(OC)c24)C3)cc1.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCn4c(-c5ccccc5C)cnc4C3)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCn4c(nnc4-c4cccc(C)c4)C3)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-(4-methoxyphenyl)-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-(2-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-(3-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethane-1,2-dione?

The InChIKey is FLMBRQFTXWDUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O4.C26H24N8O3.C25H23N9O3/c1-15-30-14-34(31-15)25-23-22(20(38-3)12-29-25)18(10-28-23)24(35)26(36)32-8-9-33-19(11-27-21(33)13-32)16-4-6-17(37-2)7-5-16;1-15-6-4-5-7-17(15)19-11-27-21-13-32(8-9-33(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;1-14-5-4-6-16(9-14)23-30-29-19-12-32(7-8-33(19)23)25(36)22(35)17-10-26-21-20(17)18(37-3)11-27-24(21)34-13-28-15(2)31-34/h4-7,10-12,14,28H,8-9,13H2,1-3H3;4-7,10-12,14,28H,8-9,13H2,1-3H3;4-6,9-11,13,26H,7-8,12H2,1-3H3.

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-(4-methoxyphenyl)-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-(2-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-(3-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-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-(4-methoxyphenyl)-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-(2-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-(3-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethane-1,2-dione has a molecular weight of 1506.58 g/mol, XLogP of 7.67, 16 rotatable bonds, 3 hydrogen bond donors, and 29 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-(4-methoxyphenyl)-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-(2-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-(3-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethane-1,2-dione is sourced from PubChem (CID 123999376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).