1-[3-[1-[4-[3-carbamoyl-1-(2-fluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C47H41FN10O7 — CID 146204316

About 1-[3-[1-[4-[3-carbamoyl-1-(2-fluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

1-[3-[1-[4-[3-carbamoyl-1-(2-fluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 146204316) has the molecular formula C47H41FN10O7 and a molecular weight of 876.91 g/mol. Its IUPAC name is 1-[3-[1-[4-[3-carbamoyl-1-(2-fluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-[1-[4-[3-carbamoyl-1-(2-fluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 146204316
• Molecular Formula: C47H41FN10O7
• Molecular Weight: 876.91 g/mol
• Exact Mass: 876.31
• IUPAC Name: 1-[3-[1-[4-[3-carbamoyl-1-(2-fluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC4=O)cc2)CC3)cc1C1CCN(c2ccc(N3CCc4c(C(N)=O)nn(-c5ccccc5F)c4C3=O)cc2)C1=O
• InChI: InChI=1S/C47H41FN10O7/c1-65-37-17-16-30(57-41-32(39(51-57)43(49)60)19-23-55(46(41)63)28-10-8-26(9-11-28)53-21-4-7-38(53)59)25-34(37)31-18-22-54(45(31)62)27-12-14-29(15-13-27)56-24-20-33-40(44(50)61)52-58(42(33)47(56)64)36-6-3-2-5-35(36)48/h2-3,5-6,8-17,25,31H,4,7,18-24H2,1H3,(H2,49,60)(H2,50,61)
• InChIKey: ZHTLRRKKWMRHES-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 212.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	876.91
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[4-[3-carbamoyl-1-(2-fluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The IUPAC name of 1-[3-[1-[4-[3-carbamoyl-1-(2-fluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 146204316) is 1-[3-[1-[4-[3-carbamoyl-1-(2-fluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

What is the SMILES notation for 1-[3-[1-[4-[3-carbamoyl-1-(2-fluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The canonical SMILES for 1-[3-[1-[4-[3-carbamoyl-1-(2-fluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC4=O)cc2)CC3)cc1C1CCN(c2ccc(N3CCc4c(C(N)=O)nn(-c5ccccc5F)c4C3=O)cc2)C1=O.

What is the InChIKey of 1-[3-[1-[4-[3-carbamoyl-1-(2-fluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The InChIKey is ZHTLRRKKWMRHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H41FN10O7/c1-65-37-17-16-30(57-41-32(39(51-57)43(49)60)19-23-55(46(41)63)28-10-8-26(9-11-28)53-21-4-7-38(53)59)25-34(37)31-18-22-54(45(31)62)27-12-14-29(15-13-27)56-24-20-33-40(44(50)61)52-58(42(33)47(56)64)36-6-3-2-5-35(36)48/h2-3,5-6,8-17,25,31H,4,7,18-24H2,1H3,(H2,49,60)(H2,50,61).

What are the key properties of 1-[3-[1-[4-[3-carbamoyl-1-(2-fluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

1-[3-[1-[4-[3-carbamoyl-1-(2-fluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 876.91 g/mol, XLogP of 4.46, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[1-[4-[3-carbamoyl-1-(2-fluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 146204316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).