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

C49H45FN10O7 — CID 146204142

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

6-[4-[3-[3-[3-carbamoyl-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxyphenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(3-fluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 146204142) has the molecular formula C49H45FN10O7 and a molecular weight of 904.96 g/mol. Its IUPAC name is 6-[4-[3-[3-[3-carbamoyl-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxyphenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(3-fluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[3-[3-[3-carbamoyl-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxyphenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(3-fluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 146204142
• Molecular Formula: C49H45FN10O7
• Molecular Weight: 904.96 g/mol
• Exact Mass: 904.35
• IUPAC Name: 6-[4-[3-[3-[3-carbamoyl-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxyphenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(3-fluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: COc1cc(C2CCN(c3ccc(N4CCc5c(C(N)=O)nn(-c6cccc(F)c6)c5C4=O)c(C)c3)C2=O)cc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC4=O)cc2C)CC3)c1
• InChI: InChI=1S/C49H45FN10O7/c1-26-20-30(55-16-5-8-40(55)61)9-11-38(26)58-19-15-37-42(46(52)63)54-60(44(37)49(58)66)33-22-28(23-34(25-33)67-3)35-13-17-56(47(35)64)31-10-12-39(27(2)21-31)57-18-14-36-41(45(51)62)53-59(43(36)48(57)65)32-7-4-6-29(50)24-32/h4,6-7,9-12,20-25,35H,5,8,13-19H2,1-3H3,(H2,51,62)(H2,52,63)
• InChIKey: SAIVLTGASSEDRO-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 212.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	904.96
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 6-[4-[3-[3-[3-carbamoyl-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxyphenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(3-fluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 146204142) is 6-[4-[3-[3-[3-carbamoyl-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxyphenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(3-fluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

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

The canonical SMILES for 6-[4-[3-[3-[3-carbamoyl-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxyphenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(3-fluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1cc(C2CCN(c3ccc(N4CCc5c(C(N)=O)nn(-c6cccc(F)c6)c5C4=O)c(C)c3)C2=O)cc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC4=O)cc2C)CC3)c1.

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

The InChIKey is SAIVLTGASSEDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H45FN10O7/c1-26-20-30(55-16-5-8-40(55)61)9-11-38(26)58-19-15-37-42(46(52)63)54-60(44(37)49(58)66)33-22-28(23-34(25-33)67-3)35-13-17-56(47(35)64)31-10-12-39(27(2)21-31)57-18-14-36-41(45(51)62)53-59(43(36)48(57)65)32-7-4-6-29(50)24-32/h4,6-7,9-12,20-25,35H,5,8,13-19H2,1-3H3,(H2,51,62)(H2,52,63).

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

6-[4-[3-[3-[3-carbamoyl-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxyphenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(3-fluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 904.96 g/mol, XLogP of 5.07, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[3-[3-[3-carbamoyl-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxyphenyl]-2-oxopyrrolidin-1-yl]-2-methylphenyl]-1-(3-fluorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 146204142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).