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

C50H48N10O8 — CID 146204377

About 1-[3-[1-[4-[3-carbamoyl-1-(2-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-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-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 146204377) has the molecular formula C50H48N10O8 and a molecular weight of 917.00 g/mol. Its IUPAC name is 1-[3-[1-[4-[3-carbamoyl-1-(2-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-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-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 146204377
• Molecular Formula: C50H48N10O8
• Molecular Weight: 917.00 g/mol
• Exact Mass: 916.37
• IUPAC Name: 1-[3-[1-[4-[3-carbamoyl-1-(2-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC4=O)cc2C)CC3)cc1C1CCN(c2ccc(N3CCc4c(C(N)=O)nn(-c5ccccc5OC)c4C3=O)c(C)c2)C1=O
• InChI: InChI=1S/C50H48N10O8/c1-27-24-29(55-20-7-10-41(55)61)11-14-36(27)57-22-18-33-42(46(51)62)53-59(44(33)49(57)65)31-13-16-39(67-3)35(26-31)32-17-21-56(48(32)64)30-12-15-37(28(2)25-30)58-23-19-34-43(47(52)63)54-60(45(34)50(58)66)38-8-5-6-9-40(38)68-4/h5-6,8-9,11-16,24-26,32H,7,10,17-23H2,1-4H3,(H2,51,62)(H2,52,63)
• InChIKey: LNDSBBNXQVFBCD-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 221.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	917.00
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[4-[3-carbamoyl-1-(2-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-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-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 146204377) is 1-[3-[1-[4-[3-carbamoyl-1-(2-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-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-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-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-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC4=O)cc2C)CC3)cc1C1CCN(c2ccc(N3CCc4c(C(N)=O)nn(-c5ccccc5OC)c4C3=O)c(C)c2)C1=O.

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

The InChIKey is LNDSBBNXQVFBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H48N10O8/c1-27-24-29(55-20-7-10-41(55)61)11-14-36(27)57-22-18-33-42(46(51)62)53-59(44(33)49(57)65)31-13-16-39(67-3)35(26-31)32-17-21-56(48(32)64)30-12-15-37(28(2)25-30)58-23-19-34-43(47(52)63)54-60(45(34)50(58)66)38-8-5-6-9-40(38)68-4/h5-6,8-9,11-16,24-26,32H,7,10,17-23H2,1-4H3,(H2,51,62)(H2,52,63).

What are the key properties of 1-[3-[1-[4-[3-carbamoyl-1-(2-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-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-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-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 917.00 g/mol, XLogP of 4.94, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[1-[4-[3-carbamoyl-1-(2-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3-methylphenyl]-2-oxopyrrolidin-3-yl]-4-methoxyphenyl]-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 146204377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).