4-[[2-chloro-3-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-5-fluorophenoxy]methyl]pyrrolidin-2-one

C26H24ClF3N4O3 — CID 168934824

About 4-[[2-chloro-3-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-5-fluorophenoxy]methyl]pyrrolidin-2-one

4-[[2-chloro-3-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-5-fluorophenoxy]methyl]pyrrolidin-2-one (PubChem CID 168934824) has the molecular formula C26H24ClF3N4O3 and a molecular weight of 532.95 g/mol. Its IUPAC name is 4-[[2-chloro-3-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-5-fluorophenoxy]methyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 4-[[2-chloro-3-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-5-fluorophenoxy]methyl]pyrrolidin-2-one
• PubChem CID: 168934824
• Molecular Formula: C26H24ClF3N4O3
• Molecular Weight: 532.95 g/mol
• Exact Mass: 532.15
• IUPAC Name: 4-[[2-chloro-3-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-5-fluorophenoxy]methyl]pyrrolidin-2-one
• SMILES: CC1c2nn(C)c(-c3cc(F)cc(F)c3)c2CCN1C(=O)c1cc(F)cc(OCC2CNC(=O)C2)c1Cl
• InChI: InChI=1S/C26H24ClF3N4O3/c1-13-24-19(25(33(2)32-24)15-6-16(28)8-17(29)7-15)3-4-34(13)26(36)20-9-18(30)10-21(23(20)27)37-12-14-5-22(35)31-11-14/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,31,35)
• InChIKey: UJYBVEAPROIDDA-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.95
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-3-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-5-fluorophenoxy]methyl]pyrrolidin-2-one?

The IUPAC name of 4-[[2-chloro-3-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-5-fluorophenoxy]methyl]pyrrolidin-2-one (CID 168934824) is 4-[[2-chloro-3-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-5-fluorophenoxy]methyl]pyrrolidin-2-one.

What is the SMILES notation for 4-[[2-chloro-3-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-5-fluorophenoxy]methyl]pyrrolidin-2-one?

The canonical SMILES for 4-[[2-chloro-3-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-5-fluorophenoxy]methyl]pyrrolidin-2-one is CC1c2nn(C)c(-c3cc(F)cc(F)c3)c2CCN1C(=O)c1cc(F)cc(OCC2CNC(=O)C2)c1Cl.

What is the InChIKey of 4-[[2-chloro-3-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-5-fluorophenoxy]methyl]pyrrolidin-2-one?

The InChIKey is UJYBVEAPROIDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF3N4O3/c1-13-24-19(25(33(2)32-24)15-6-16(28)8-17(29)7-15)3-4-34(13)26(36)20-9-18(30)10-21(23(20)27)37-12-14-5-22(35)31-11-14/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,31,35).

What are the key properties of 4-[[2-chloro-3-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-5-fluorophenoxy]methyl]pyrrolidin-2-one?

4-[[2-chloro-3-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-5-fluorophenoxy]methyl]pyrrolidin-2-one has a molecular weight of 532.95 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-chloro-3-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-5-fluorophenoxy]methyl]pyrrolidin-2-one is sourced from PubChem (CID 168934824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).