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

C55H47N17O6 — CID 123513647

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

1-(1,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-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-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethane-1,2-dione (PubChem CID 123513647) has the molecular formula C55H47N17O6 and a molecular weight of 1042.09 g/mol. Its IUPAC name is 1-(1,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-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-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethane-1,2-dione.

Molecular Properties

• Compound Name: 1-(1,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-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-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethane-1,2-dione
• PubChem CID: 123513647
• Molecular Formula: C55H47N17O6
• Molecular Weight: 1042.09 g/mol
• Exact Mass: 1041.39
• IUPAC Name: 1-(1,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-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-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethane-1,2-dione
• SMILES: COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(c(-c5ccccc5)nn4-c4ccccc4)C3)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCn4c(nnc4-c4ccccc4)C3)c12
• InChI: InChI=1S/C31H26N8O3.C24H21N9O3/c1-19-34-18-38(35-19)30-28-26(25(42-2)16-33-30)22(15-32-28)29(40)31(41)37-14-13-24-23(17-37)27(20-9-5-3-6-10-20)36-39(24)21-11-7-4-8-12-21;1-14-27-13-33(30-14)23-20-19(17(36-2)11-26-23)16(10-25-20)21(34)24(35)31-8-9-32-18(12-31)28-29-22(32)15-6-4-3-5-7-15/h3-12,15-16,18,32H,13-14,17H2,1-2H3;3-7,10-11,13,25H,8-9,12H2,1-2H3
• InChIKey: MTSNMPMXSCHBKD-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 260.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1042.09
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-(1,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-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-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethane-1,2-dione (CID 123513647) is 1-(1,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-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-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethane-1,2-dione.

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

The canonical SMILES for 1-(1,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-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-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethane-1,2-dione is COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(c(-c5ccccc5)nn4-c4ccccc4)C3)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCn4c(nnc4-c4ccccc4)C3)c12.

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

The InChIKey is MTSNMPMXSCHBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N8O3.C24H21N9O3/c1-19-34-18-38(35-19)30-28-26(25(42-2)16-33-30)22(15-32-28)29(40)31(41)37-14-13-24-23(17-37)27(20-9-5-3-6-10-20)36-39(24)21-11-7-4-8-12-21;1-14-27-13-33(30-14)23-20-19(17(36-2)11-26-23)16(10-25-20)21(34)24(35)31-8-9-32-18(12-31)28-29-22(32)15-6-4-3-5-7-15/h3-12,15-16,18,32H,13-14,17H2,1-2H3;3-7,10-11,13,25H,8-9,12H2,1-2H3.

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

1-(1,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-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-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethane-1,2-dione has a molecular weight of 1042.09 g/mol, XLogP of 6.03, 11 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-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-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethane-1,2-dione is sourced from PubChem (CID 123513647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).