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

C24H21F2N5O3 — CID 118086939

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

1-(2,6-difluorophenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 118086939) has the molecular formula C24H21F2N5O3 and a molecular weight of 465.46 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,6-difluorophenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 118086939
• Molecular Formula: C24H21F2N5O3
• Molecular Weight: 465.46 g/mol
• Exact Mass: 465.16
• IUPAC Name: 1-(2,6-difluorophenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: Cc1cc(N2CCc3c(C(N)=O)nn(-c4c(F)cccc4F)c3C2=O)ccc1N1CCCC1=O
• InChI: InChI=1S/C24H21F2N5O3/c1-13-12-14(7-8-18(13)30-10-3-6-19(30)32)29-11-9-15-20(23(27)33)28-31(21(15)24(29)34)22-16(25)4-2-5-17(22)26/h2,4-5,7-8,12H,3,6,9-11H2,1H3,(H2,27,33)
• InChIKey: UNMDNTSEMHTSAJ-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 101.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.46
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-(2,6-difluorophenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 118086939) is 1-(2,6-difluorophenyl)-6-[3-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-(2,6-difluorophenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The canonical SMILES for 1-(2,6-difluorophenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is Cc1cc(N2CCc3c(C(N)=O)nn(-c4c(F)cccc4F)c3C2=O)ccc1N1CCCC1=O.

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

The InChIKey is UNMDNTSEMHTSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O3/c1-13-12-14(7-8-18(13)30-10-3-6-19(30)32)29-11-9-15-20(23(27)33)28-31(21(15)24(29)34)22-16(25)4-2-5-17(22)26/h2,4-5,7-8,12H,3,6,9-11H2,1H3,(H2,27,33).

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

1-(2,6-difluorophenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 465.46 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-difluorophenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 118086939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).