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

C49H43F3N10O7 — CID 146204125

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

6-[4-[3-[5-[3-carbamoyl-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2-fluoro-3-methoxyphenyl]-2-oxopyrrolidin-1-yl]-3-methylphenyl]-1-(3,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 146204125) has the molecular formula C49H43F3N10O7 and a molecular weight of 940.94 g/mol. Its IUPAC name is 6-[4-[3-[5-[3-carbamoyl-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2-fluoro-3-methoxyphenyl]-2-oxopyrrolidin-1-yl]-3-methylphenyl]-1-(3,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[3-[5-[3-carbamoyl-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2-fluoro-3-methoxyphenyl]-2-oxopyrrolidin-1-yl]-3-methylphenyl]-1-(3,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 146204125
• Molecular Formula: C49H43F3N10O7
• Molecular Weight: 940.94 g/mol
• Exact Mass: 940.33
• IUPAC Name: 6-[4-[3-[5-[3-carbamoyl-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2-fluoro-3-methoxyphenyl]-2-oxopyrrolidin-1-yl]-3-methylphenyl]-1-(3,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: COc1cc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC4=O)c(C)c2)CC3)cc(C2CCN(c3ccc(N4CCc5c(C(N)=O)nn(-c6ccc(F)c(F)c6)c5C4=O)cc3C)C2=O)c1F
• InChI: InChI=1S/C49H43F3N10O7/c1-24-19-26(7-10-36(24)59-15-4-5-39(59)63)58-17-14-32-42(46(54)65)56-62(44(32)49(58)68)29-21-33(40(52)38(23-29)69-3)30-12-18-60(47(30)66)37-11-8-27(20-25(37)2)57-16-13-31-41(45(53)64)55-61(43(31)48(57)67)28-6-9-34(50)35(51)22-28/h6-11,19-23,30H,4-5,12-18H2,1-3H3,(H2,53,64)(H2,54,65)
• InChIKey: OFLBCLDJJSBVND-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 212.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	940.94
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 6-[4-[3-[5-[3-carbamoyl-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2-fluoro-3-methoxyphenyl]-2-oxopyrrolidin-1-yl]-3-methylphenyl]-1-(3,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 146204125) is 6-[4-[3-[5-[3-carbamoyl-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2-fluoro-3-methoxyphenyl]-2-oxopyrrolidin-1-yl]-3-methylphenyl]-1-(3,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

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

The canonical SMILES for 6-[4-[3-[5-[3-carbamoyl-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2-fluoro-3-methoxyphenyl]-2-oxopyrrolidin-1-yl]-3-methylphenyl]-1-(3,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1cc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC4=O)c(C)c2)CC3)cc(C2CCN(c3ccc(N4CCc5c(C(N)=O)nn(-c6ccc(F)c(F)c6)c5C4=O)cc3C)C2=O)c1F.

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

The InChIKey is OFLBCLDJJSBVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H43F3N10O7/c1-24-19-26(7-10-36(24)59-15-4-5-39(59)63)58-17-14-32-42(46(54)65)56-62(44(32)49(58)68)29-21-33(40(52)38(23-29)69-3)30-12-18-60(47(30)66)37-11-8-27(20-25(37)2)57-16-13-31-41(45(53)64)55-61(43(31)48(57)67)28-6-9-34(50)35(51)22-28/h6-11,19-23,30H,4-5,12-18H2,1-3H3,(H2,53,64)(H2,54,65).

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

6-[4-[3-[5-[3-carbamoyl-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2-fluoro-3-methoxyphenyl]-2-oxopyrrolidin-1-yl]-3-methylphenyl]-1-(3,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 940.94 g/mol, XLogP of 5.35, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[3-[5-[3-carbamoyl-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2-fluoro-3-methoxyphenyl]-2-oxopyrrolidin-1-yl]-3-methylphenyl]-1-(3,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 146204125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).