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

C28H30N4O4 — CID 118086934

IUPACethyl 1-(2,4-dimethylphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(C)cc2C)c2c1CCN(c1ccc(N3CCCC3=O)cc1C)C2=O
InChIInChI=1S/C28H30N4O4/c1-5-36-28(35)25-21-12-14-31(22-11-9-20(16-19(22)4)30-13-6-7-24(30)33)27(34)26(21)32(29-25)23-10-8-17(2)15-18(23)3/h8-11,15-16H,5-7,12-14H2,1-4H3
InChIKeyNIGTVTFFCIZSPP-UHFFFAOYSA-N
MW486.57 g/mol
LogP4.30
Rot. Bonds5

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

ethyl 1-(2,4-dimethylphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate (PubChem CID 118086934) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is ethyl 1-(2,4-dimethylphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,4-dimethylphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
PubChem CID118086934
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC Nameethyl 1-(2,4-dimethylphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(C)cc2C)c2c1CCN(c1ccc(N3CCCC3=O)cc1C)C2=O
InChIInChI=1S/C28H30N4O4/c1-5-36-28(35)25-21-12-14-31(22-11-9-20(16-19(22)4)30-13-6-7-24(30)33)27(34)26(21)32(29-25)23-10-8-17(2)15-18(23)3/h8-11,15-16H,5-7,12-14H2,1-4H3
InChIKeyNIGTVTFFCIZSPP-UHFFFAOYSA-N
XLogP4.30
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Related Compounds

ethyl 6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 118087106
ethyl 1-(4-methoxy-2-methylphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 130194415
6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118086860
1-(2,6-difluorophenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118086993
1-(4-methoxy-2-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 122498651
1-(4-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118086878
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
1-(4-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118087094
1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxoazetidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118086915
ethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 11566693
1-(4-methylphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 20816131
ethyl 1-[6-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 162574923

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,4-dimethylphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-(2,4-dimethylphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate (CID 118086934) is ethyl 1-(2,4-dimethylphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2,4-dimethylphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(2,4-dimethylphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate is CCOC(=O)c1nn(-c2ccc(C)cc2C)c2c1CCN(c1ccc(N3CCCC3=O)cc1C)C2=O.
What is the InChIKey of ethyl 1-(2,4-dimethylphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?
The InChIKey is NIGTVTFFCIZSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-5-36-28(35)25-21-12-14-31(22-11-9-20(16-19(22)4)30-13-6-7-24(30)33)27(34)26(21)32(29-25)23-10-8-17(2)15-18(23)3/h8-11,15-16H,5-7,12-14H2,1-4H3.
What are the key properties of ethyl 1-(2,4-dimethylphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?
ethyl 1-(2,4-dimethylphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate has a molecular weight of 486.57 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,4-dimethylphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate is sourced from PubChem (CID 118086934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).