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

C52H52N10O10 — CID 144843440

About 1-[3-[1-[4-[3-carbamoyl-1-(3,5-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4,5-dimethoxyphenyl]-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-(3,5-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4,5-dimethoxyphenyl]-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 144843440) has the molecular formula C52H52N10O10 and a molecular weight of 977.05 g/mol. Its IUPAC name is 1-[3-[1-[4-[3-carbamoyl-1-(3,5-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4,5-dimethoxyphenyl]-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-(3,5-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4,5-dimethoxyphenyl]-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 144843440
• Molecular Formula: C52H52N10O10
• Molecular Weight: 977.05 g/mol
• Exact Mass: 976.39
• IUPAC Name: 1-[3-[1-[4-[3-carbamoyl-1-(3,5-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4,5-dimethoxyphenyl]-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: COc1cc(OC)cc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCC(c5cc(-n6nc(C(N)=O)c7c6C(=O)N(c6ccc(N8CCCC8=O)cc6C)CC7)cc(OC)c5OC)C4=O)cc2C)CC3)c1
• InChI: InChI=1S/C52H52N10O10/c1-27-20-29(57-16-7-8-42(57)63)9-11-39(27)59-19-15-37-44(49(54)65)56-62(46(37)52(59)68)32-24-38(47(72-6)41(25-32)71-5)35-13-17-58(50(35)66)30-10-12-40(28(2)21-30)60-18-14-36-43(48(53)64)55-61(45(36)51(60)67)31-22-33(69-3)26-34(23-31)70-4/h9-12,20-26,35H,7-8,13-19H2,1-6H3,(H2,53,64)(H2,54,65)
• InChIKey: YNLRUTRPHCPTFK-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 239.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	977.05
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[4-[3-carbamoyl-1-(3,5-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4,5-dimethoxyphenyl]-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-(3,5-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4,5-dimethoxyphenyl]-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 144843440) is 1-[3-[1-[4-[3-carbamoyl-1-(3,5-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4,5-dimethoxyphenyl]-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-(3,5-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4,5-dimethoxyphenyl]-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-(3,5-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4,5-dimethoxyphenyl]-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1cc(OC)cc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCC(c5cc(-n6nc(C(N)=O)c7c6C(=O)N(c6ccc(N8CCCC8=O)cc6C)CC7)cc(OC)c5OC)C4=O)cc2C)CC3)c1.

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

The InChIKey is YNLRUTRPHCPTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H52N10O10/c1-27-20-29(57-16-7-8-42(57)63)9-11-39(27)59-19-15-37-44(49(54)65)56-62(46(37)52(59)68)32-24-38(47(72-6)41(25-32)71-5)35-13-17-58(50(35)66)30-10-12-40(28(2)21-30)60-18-14-36-43(48(53)64)55-61(45(36)51(60)67)31-22-33(69-3)26-34(23-31)70-4/h9-12,20-26,35H,7-8,13-19H2,1-6H3,(H2,53,64)(H2,54,65).

What are the key properties of 1-[3-[1-[4-[3-carbamoyl-1-(3,5-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4,5-dimethoxyphenyl]-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-(3,5-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4,5-dimethoxyphenyl]-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 977.05 g/mol, XLogP of 4.96, 13 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[1-[4-[3-carbamoyl-1-(3,5-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4,5-dimethoxyphenyl]-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 144843440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).