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-fluoro-3-methoxyphenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(3,4-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C51H49FN10O9 — CID 146204325

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-fluoro-3-methoxyphenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(3,4-dimethoxyphenyl)-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-fluoro-3-methoxyphenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(3,4-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 146204325) has the molecular formula C51H49FN10O9 and a molecular weight of 965.01 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-fluoro-3-methoxyphenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(3,4-dimethoxyphenyl)-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-fluoro-3-methoxyphenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(3,4-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 146204325
• Molecular Formula: C51H49FN10O9
• Molecular Weight: 965.01 g/mol
• Exact Mass: 964.37
• 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-fluoro-3-methoxyphenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(3,4-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCC(c5cc(-n6nc(C(N)=O)c7c6C(=O)N(c6ccc(N8CCCC8=O)cc6C)CC7)cc(OC)c5F)C4=O)cc2C)CC3)cc1OC
• InChI: InChI=1S/C51H49FN10O9/c1-26-21-28(57-17-6-7-41(57)63)8-11-36(26)60-20-16-34-44(48(54)65)56-62(46(34)51(60)68)31-23-35(42(52)40(25-31)71-5)32-14-18-58(49(32)66)29-9-12-37(27(2)22-29)59-19-15-33-43(47(53)64)55-61(45(33)50(59)67)30-10-13-38(69-3)39(24-30)70-4/h8-13,21-25,32H,6-7,14-20H2,1-5H3,(H2,53,64)(H2,54,65)
• InChIKey: OWLJRVSJNOXFQH-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 230.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	965.01
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

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-fluoro-3-methoxyphenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(3,4-dimethoxyphenyl)-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-fluoro-3-methoxyphenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(3,4-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 146204325) 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-fluoro-3-methoxyphenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(3,4-dimethoxyphenyl)-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-fluoro-3-methoxyphenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(3,4-dimethoxyphenyl)-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-fluoro-3-methoxyphenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(3,4-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCC(c5cc(-n6nc(C(N)=O)c7c6C(=O)N(c6ccc(N8CCCC8=O)cc6C)CC7)cc(OC)c5F)C4=O)cc2C)CC3)cc1OC.

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-fluoro-3-methoxyphenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(3,4-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The InChIKey is OWLJRVSJNOXFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H49FN10O9/c1-26-21-28(57-17-6-7-41(57)63)8-11-36(26)60-20-16-34-44(48(54)65)56-62(46(34)51(60)68)31-23-35(42(52)40(25-31)71-5)32-14-18-58(49(32)66)29-9-12-37(27(2)22-29)59-19-15-33-43(47(53)64)55-61(45(33)50(59)67)30-10-13-38(69-3)39(24-30)70-4/h8-13,21-25,32H,6-7,14-20H2,1-5H3,(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-fluoro-3-methoxyphenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(3,4-dimethoxyphenyl)-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-fluoro-3-methoxyphenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(3,4-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 965.01 g/mol, XLogP of 5.09, 12 rotatable bonds, 2 hydrogen bond donors, and 13 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-fluoro-3-methoxyphenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(3,4-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 146204325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).