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

C50H47FN10O6 — CID 146204120

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

1-[3-[1-[4-[3-carbamoyl-1-(2,4-dimethylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4-fluorophenyl]-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 146204120) has the molecular formula C50H47FN10O6 and a molecular weight of 902.99 g/mol. Its IUPAC name is 1-[3-[1-[4-[3-carbamoyl-1-(2,4-dimethylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4-fluorophenyl]-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-[1-[4-[3-carbamoyl-1-(2,4-dimethylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4-fluorophenyl]-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 146204120
• Molecular Formula: C50H47FN10O6
• Molecular Weight: 902.99 g/mol
• Exact Mass: 902.37
• IUPAC Name: 1-[3-[1-[4-[3-carbamoyl-1-(2,4-dimethylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4-fluorophenyl]-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: Cc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCC(c5cc(-n6nc(C(N)=O)c7c6C(=O)N(c6ccc(N8CCCC8=O)cc6C)CC7)ccc5F)C4=O)cc2C)CC3)c(C)c1
• InChI: InChI=1S/C50H47FN10O6/c1-26-7-12-40(27(2)22-26)61-45-35(43(55-61)47(53)64)17-21-59(50(45)67)39-14-10-31(24-29(39)4)57-19-15-33(48(57)65)36-25-32(8-11-37(36)51)60-44-34(42(54-60)46(52)63)16-20-58(49(44)66)38-13-9-30(23-28(38)3)56-18-5-6-41(56)62/h7-14,22-25,33H,5-6,15-21H2,1-4H3,(H2,52,63)(H2,53,64)
• InChIKey: ZAECPVWUIDABFY-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 203.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	902.99
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 1-[3-[1-[4-[3-carbamoyl-1-(2,4-dimethylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4-fluorophenyl]-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 146204120) is 1-[3-[1-[4-[3-carbamoyl-1-(2,4-dimethylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4-fluorophenyl]-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

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

The canonical SMILES for 1-[3-[1-[4-[3-carbamoyl-1-(2,4-dimethylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4-fluorophenyl]-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is Cc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCC(c5cc(-n6nc(C(N)=O)c7c6C(=O)N(c6ccc(N8CCCC8=O)cc6C)CC7)ccc5F)C4=O)cc2C)CC3)c(C)c1.

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

The InChIKey is ZAECPVWUIDABFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H47FN10O6/c1-26-7-12-40(27(2)22-26)61-45-35(43(55-61)47(53)64)17-21-59(50(45)67)39-14-10-31(24-29(39)4)57-19-15-33(48(57)65)36-25-32(8-11-37(36)51)60-44-34(42(54-60)46(52)63)16-20-58(49(44)66)38-13-9-30(23-28(38)3)56-18-5-6-41(56)62/h7-14,22-25,33H,5-6,15-21H2,1-4H3,(H2,52,63)(H2,53,64).

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

1-[3-[1-[4-[3-carbamoyl-1-(2,4-dimethylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4-fluorophenyl]-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 902.99 g/mol, XLogP of 5.68, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[1-[4-[3-carbamoyl-1-(2,4-dimethylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4-fluorophenyl]-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 146204120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).