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

C25H24FN5O4 — CID 118086981

IUPAC1-(3-fluoro-5-methoxyphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1cc(F)cc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC4=O)cc2C)CC3)c1
InChIInChI=1S/C25H24FN5O4/c1-14-10-16(29-8-3-4-21(29)32)5-6-20(14)30-9-7-19-22(24(27)33)28-31(23(19)25(30)34)17-11-15(26)12-18(13-17)35-2/h5-6,10-13H,3-4,7-9H2,1-2H3,(H2,27,33)
InChIKeyBODBFRUHUFNHFN-UHFFFAOYSA-N
MW477.50 g/mol
LogP2.76
Rot. Bonds5

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

1-(3-fluoro-5-methoxyphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 118086981) has the molecular formula C25H24FN5O4 and a molecular weight of 477.50 g/mol. Its IUPAC name is 1-(3-fluoro-5-methoxyphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluoro-5-methoxyphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID118086981
Molecular FormulaC25H24FN5O4
Molecular Weight477.50 g/mol
Exact Mass477.18
IUPAC Name1-(3-fluoro-5-methoxyphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1cc(F)cc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC4=O)cc2C)CC3)c1
InChIInChI=1S/C25H24FN5O4/c1-14-10-16(29-8-3-4-21(29)32)5-6-20(14)30-9-7-19-22(24(27)33)28-31(23(19)25(30)34)17-11-15(26)12-18(13-17)35-2/h5-6,10-13H,3-4,7-9H2,1-2H3,(H2,27,33)
InChIKeyBODBFRUHUFNHFN-UHFFFAOYSA-N
XLogP2.76
TPSA110.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-fluoro-5-methoxyphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-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-fluoro-5-methoxyphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 118086981) is 1-(3-fluoro-5-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-fluoro-5-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-fluoro-5-methoxyphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1cc(F)cc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC4=O)cc2C)CC3)c1.
What is the InChIKey of 1-(3-fluoro-5-methoxyphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is BODBFRUHUFNHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O4/c1-14-10-16(29-8-3-4-21(29)32)5-6-20(14)30-9-7-19-22(24(27)33)28-31(23(19)25(30)34)17-11-15(26)12-18(13-17)35-2/h5-6,10-13H,3-4,7-9H2,1-2H3,(H2,27,33).
What are the key properties of 1-(3-fluoro-5-methoxyphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(3-fluoro-5-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 477.50 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-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 118086981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).