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

C50H48N10O10 — CID 146204321

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

6-[4-[3-[5-[3-carbamoyl-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-dimethoxyphenyl]-2-oxopyrrolidin-1-yl]phenyl]-1-(2,4-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 146204321) has the molecular formula C50H48N10O10 and a molecular weight of 948.99 g/mol. Its IUPAC name is 6-[4-[3-[5-[3-carbamoyl-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-dimethoxyphenyl]-2-oxopyrrolidin-1-yl]phenyl]-1-(2,4-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[3-[5-[3-carbamoyl-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-dimethoxyphenyl]-2-oxopyrrolidin-1-yl]phenyl]-1-(2,4-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 146204321
• Molecular Formula: C50H48N10O10
• Molecular Weight: 948.99 g/mol
• Exact Mass: 948.36
• IUPAC Name: 6-[4-[3-[5-[3-carbamoyl-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-dimethoxyphenyl]-2-oxopyrrolidin-1-yl]phenyl]-1-(2,4-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)cc6)CC7)cc(OC)c5OC)C4=O)cc2)CC3)c(OC)c1
• InChI: InChI=1S/C50H48N10O10/c1-67-32-15-16-37(38(26-32)68-2)60-44-35(42(54-60)47(52)63)19-23-58(50(44)66)30-13-11-28(12-14-30)56-21-17-33(48(56)64)36-24-31(25-39(69-3)45(36)70-4)59-43-34(41(53-59)46(51)62)18-22-57(49(43)65)29-9-7-27(8-10-29)55-20-5-6-40(55)61/h7-16,24-26,33H,5-6,17-23H2,1-4H3,(H2,51,62)(H2,52,63)
• InChIKey: XPFQGUZBNROIGN-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 239.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	948.99
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of 6-[4-[3-[5-[3-carbamoyl-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-dimethoxyphenyl]-2-oxopyrrolidin-1-yl]phenyl]-1-(2,4-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 146204321) is 6-[4-[3-[5-[3-carbamoyl-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-dimethoxyphenyl]-2-oxopyrrolidin-1-yl]phenyl]-1-(2,4-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

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

The canonical SMILES for 6-[4-[3-[5-[3-carbamoyl-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-dimethoxyphenyl]-2-oxopyrrolidin-1-yl]phenyl]-1-(2,4-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)cc6)CC7)cc(OC)c5OC)C4=O)cc2)CC3)c(OC)c1.

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

The InChIKey is XPFQGUZBNROIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H48N10O10/c1-67-32-15-16-37(38(26-32)68-2)60-44-35(42(54-60)47(52)63)19-23-58(50(44)66)30-13-11-28(12-14-30)56-21-17-33(48(56)64)36-24-31(25-39(69-3)45(36)70-4)59-43-34(41(53-59)46(51)62)18-22-57(49(43)65)29-9-7-27(8-10-29)55-20-5-6-40(55)61/h7-16,24-26,33H,5-6,17-23H2,1-4H3,(H2,51,62)(H2,52,63).

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

6-[4-[3-[5-[3-carbamoyl-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-dimethoxyphenyl]-2-oxopyrrolidin-1-yl]phenyl]-1-(2,4-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 948.99 g/mol, XLogP of 4.34, 13 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[3-[5-[3-carbamoyl-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-2,3-dimethoxyphenyl]-2-oxopyrrolidin-1-yl]phenyl]-1-(2,4-dimethoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 146204321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).