ethyl 7-hydroxy-1-(4-methoxyphenyl)-6-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate

C22H23N3O4 — CID 123346553

IUPACethyl 7-hydroxy-1-(4-methoxyphenyl)-6-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccccc1)C2O
InChIInChI=1S/C22H23N3O4/c1-3-29-22(27)19-18-13-14-24(15-7-5-4-6-8-15)21(26)20(18)25(23-19)16-9-11-17(28-2)12-10-16/h4-12,21,26H,3,13-14H2,1-2H3
InChIKeyJVSUZADKRAPGEN-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.11
Rot. Bonds5

About ethyl 7-hydroxy-1-(4-methoxyphenyl)-6-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate

ethyl 7-hydroxy-1-(4-methoxyphenyl)-6-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate (PubChem CID 123346553) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is ethyl 7-hydroxy-1-(4-methoxyphenyl)-6-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-hydroxy-1-(4-methoxyphenyl)-6-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
PubChem CID123346553
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Nameethyl 7-hydroxy-1-(4-methoxyphenyl)-6-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccccc1)C2O
InChIInChI=1S/C22H23N3O4/c1-3-29-22(27)19-18-13-14-24(15-7-5-4-6-8-15)21(26)20(18)25(23-19)16-9-11-17(28-2)12-10-16/h4-12,21,26H,3,13-14H2,1-2H3
InChIKeyJVSUZADKRAPGEN-UHFFFAOYSA-N
XLogP3.11
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 7-hydroxy-1-(4-methoxyphenyl)-6-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 5-amino-4-chloro-1-(4-methoxyphenyl)pyrazole-3-carboxylate
CID 112707174
ethyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 43836208
ethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 11566693
ethyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 14576148
ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 11711790
ethyl 6-hexa-2,4-dien-3-yl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 123156508
ethyl 1,5-diphenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 122367862
ethyl 6-[4-[acetyl(propyl)amino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 142253147
ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate
CID 132502510
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 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 63235121
ethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate
CID 135372866

Frequently Asked Questions

What is the IUPAC name of ethyl 7-hydroxy-1-(4-methoxyphenyl)-6-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 7-hydroxy-1-(4-methoxyphenyl)-6-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate (CID 123346553) is ethyl 7-hydroxy-1-(4-methoxyphenyl)-6-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-hydroxy-1-(4-methoxyphenyl)-6-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 7-hydroxy-1-(4-methoxyphenyl)-6-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate is CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccccc1)C2O.
What is the InChIKey of ethyl 7-hydroxy-1-(4-methoxyphenyl)-6-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate?
The InChIKey is JVSUZADKRAPGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-3-29-22(27)19-18-13-14-24(15-7-5-4-6-8-15)21(26)20(18)25(23-19)16-9-11-17(28-2)12-10-16/h4-12,21,26H,3,13-14H2,1-2H3.
What are the key properties of ethyl 7-hydroxy-1-(4-methoxyphenyl)-6-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate?
ethyl 7-hydroxy-1-(4-methoxyphenyl)-6-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-hydroxy-1-(4-methoxyphenyl)-6-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate is sourced from PubChem (CID 123346553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).