ethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate

C21H19N3O3 — CID 11566693

IUPACethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)c2c1CCN(c1ccccc1)C2=O
InChIInChI=1S/C21H19N3O3/c1-2-27-21(26)18-17-13-14-23(15-9-5-3-6-10-15)20(25)19(17)24(22-18)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKeyKZRRXEFQAUOTGR-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.25
Rot. Bonds4

About ethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate

ethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate (PubChem CID 11566693) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is ethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
PubChem CID11566693
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Nameethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)c2c1CCN(c1ccccc1)C2=O
InChIInChI=1S/C21H19N3O3/c1-2-27-21(26)18-17-13-14-23(15-9-5-3-6-10-15)20(25)19(17)24(22-18)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKeyKZRRXEFQAUOTGR-UHFFFAOYSA-N
XLogP3.25
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 7-oxo-6-[4-(2-oxo-1H-pyridin-3-yl)phenyl]-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 90950309
ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 11711790
ethyl 1-(3-chlorophenyl)-6-[3-(dimethylcarbamoyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 171523128
3-(ethoxymethyl)-1,6-diphenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;methanol
CID 143370658
ethyl 6-[4-[(2-bromoacetyl)amino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 58618147
ethyl 6-[4-[acetyl(propyl)amino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 142253147
6-(4-iodophenyl)-7-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 59016559
ethyl 1-(4-methoxyphenyl)-6-[4-(2-methyl-6-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 149410148
ethyl 6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1-(3-chlorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 171523706
ethyl (6Z)-6-(dimethylaminomethylidene)-7-oxo-1-phenyl-4,5-dihydroindazole-3-carboxylate
CID 68936625
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-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 14576148

Frequently Asked Questions

What is the IUPAC name of ethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate (CID 11566693) is ethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate is CCOC(=O)c1nn(-c2ccccc2)c2c1CCN(c1ccccc1)C2=O.
What is the InChIKey of ethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?
The InChIKey is KZRRXEFQAUOTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-2-27-21(26)18-17-13-14-23(15-9-5-3-6-10-15)20(25)19(17)24(22-18)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3.
What are the key properties of ethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?
ethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate has a molecular weight of 361.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate is sourced from PubChem (CID 11566693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).