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

C48H40F4N10O6 — CID 146204123

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

6-[4-[3-[5-[3-carbamoyl-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-difluorophenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(2,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 146204123) has the molecular formula C48H40F4N10O6 and a molecular weight of 928.90 g/mol. Its IUPAC name is 6-[4-[3-[5-[3-carbamoyl-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-difluorophenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(2,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[3-[5-[3-carbamoyl-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-difluorophenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(2,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 146204123
• Molecular Formula: C48H40F4N10O6
• Molecular Weight: 928.90 g/mol
• Exact Mass: 928.31
• IUPAC Name: 6-[4-[3-[5-[3-carbamoyl-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-difluorophenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(2,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: Cc1cc(N2CCCC2=O)ccc1N1CCc2c(C(N)=O)nn(-c3cc(F)c(F)c(C4CCN(c5ccc(N6CCc7c(C(N)=O)nn(-c8ccc(F)cc8F)c7C6=O)c(C)c5)C4=O)c3)c2C1=O
• InChI: InChI=1S/C48H40F4N10O6/c1-23-18-26(57-14-3-4-38(57)63)6-9-35(23)59-16-12-30-40(44(53)64)55-61(42(30)47(59)67)28-21-32(39(52)34(51)22-28)29-11-15-58(46(29)66)27-7-10-36(24(2)19-27)60-17-13-31-41(45(54)65)56-62(43(31)48(60)68)37-8-5-25(49)20-33(37)50/h5-10,18-22,29H,3-4,11-17H2,1-2H3,(H2,53,64)(H2,54,65)
• InChIKey: DXMVKOYDYUXREG-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 203.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	928.90
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 6-[4-[3-[5-[3-carbamoyl-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-difluorophenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(2,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 146204123) is 6-[4-[3-[5-[3-carbamoyl-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-difluorophenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(2,4-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-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-difluorophenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(2,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The canonical SMILES for 6-[4-[3-[5-[3-carbamoyl-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-difluorophenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(2,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is Cc1cc(N2CCCC2=O)ccc1N1CCc2c(C(N)=O)nn(-c3cc(F)c(F)c(C4CCN(c5ccc(N6CCc7c(C(N)=O)nn(-c8ccc(F)cc8F)c7C6=O)c(C)c5)C4=O)c3)c2C1=O.

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

The InChIKey is DXMVKOYDYUXREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40F4N10O6/c1-23-18-26(57-14-3-4-38(57)63)6-9-35(23)59-16-12-30-40(44(53)64)55-61(42(30)47(59)67)28-21-32(39(52)34(51)22-28)29-11-15-58(46(29)66)27-7-10-36(24(2)19-27)60-17-13-31-41(45(54)65)56-62(43(31)48(60)68)37-8-5-25(49)20-33(37)50/h5-10,18-22,29H,3-4,11-17H2,1-2H3,(H2,53,64)(H2,54,65).

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

6-[4-[3-[5-[3-carbamoyl-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-difluorophenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(2,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 928.90 g/mol, XLogP of 5.48, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[3-[5-[3-carbamoyl-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-difluorophenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(2,4-difluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 146204123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).