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

C26H22N4O4 — CID 90950309

IUPACethyl 7-oxo-6-[4-(2-oxo-1H-pyridin-3-yl)phenyl]-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)c2c1CCN(c1ccc(-c3ccc[nH]c3=O)cc1)C2=O
InChIInChI=1S/C26H22N4O4/c1-2-34-26(33)22-21-14-16-29(25(32)23(21)30(28-22)19-7-4-3-5-8-19)18-12-10-17(11-13-18)20-9-6-15-27-24(20)31/h3-13,15H,2,14,16H2,1H3,(H,27,31)
InChIKeyBQHXUQSZAZUONY-UHFFFAOYSA-N
MW454.49 g/mol
LogP3.61
Rot. Bonds5

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

ethyl 7-oxo-6-[4-(2-oxo-1H-pyridin-3-yl)phenyl]-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate (PubChem CID 90950309) has the molecular formula C26H22N4O4 and a molecular weight of 454.49 g/mol. Its IUPAC name is ethyl 7-oxo-6-[4-(2-oxo-1H-pyridin-3-yl)phenyl]-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-oxo-6-[4-(2-oxo-1H-pyridin-3-yl)phenyl]-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
PubChem CID90950309
Molecular FormulaC26H22N4O4
Molecular Weight454.49 g/mol
Exact Mass454.16
IUPAC Nameethyl 7-oxo-6-[4-(2-oxo-1H-pyridin-3-yl)phenyl]-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)c2c1CCN(c1ccc(-c3ccc[nH]c3=O)cc1)C2=O
InChIInChI=1S/C26H22N4O4/c1-2-34-26(33)22-21-14-16-29(25(32)23(21)30(28-22)19-7-4-3-5-8-19)18-12-10-17(11-13-18)20-9-6-15-27-24(20)31/h3-13,15H,2,14,16H2,1H3,(H,27,31)
InChIKeyBQHXUQSZAZUONY-UHFFFAOYSA-N
XLogP3.61
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

ethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 11566693
ethyl 3-methyl-5-(2-oxo-1H-pyridin-3-yl)-1-phenylpyrazole-4-carboxylate
CID 135678284
ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 11711790
ethyl 4-(2-oxo-1H-pyridin-3-yl)benzoate
CID 53218078
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-(3-chlorophenyl)-6-[3-(dimethylcarbamoyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 171523128
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
6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 10117541
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
3-(ethoxymethyl)-1,6-diphenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;methanol
CID 143370658

Frequently Asked Questions

What is the IUPAC name of ethyl 7-oxo-6-[4-(2-oxo-1H-pyridin-3-yl)phenyl]-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?
The IUPAC name of 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) is ethyl 7-oxo-6-[4-(2-oxo-1H-pyridin-3-yl)phenyl]-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-oxo-6-[4-(2-oxo-1H-pyridin-3-yl)phenyl]-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 7-oxo-6-[4-(2-oxo-1H-pyridin-3-yl)phenyl]-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate is CCOC(=O)c1nn(-c2ccccc2)c2c1CCN(c1ccc(-c3ccc[nH]c3=O)cc1)C2=O.
What is the InChIKey of ethyl 7-oxo-6-[4-(2-oxo-1H-pyridin-3-yl)phenyl]-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?
The InChIKey is BQHXUQSZAZUONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O4/c1-2-34-26(33)22-21-14-16-29(25(32)23(21)30(28-22)19-7-4-3-5-8-19)18-12-10-17(11-13-18)20-9-6-15-27-24(20)31/h3-13,15H,2,14,16H2,1H3,(H,27,31).
What are the key properties of ethyl 7-oxo-6-[4-(2-oxo-1H-pyridin-3-yl)phenyl]-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?
ethyl 7-oxo-6-[4-(2-oxo-1H-pyridin-3-yl)phenyl]-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate has a molecular weight of 454.49 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-oxo-6-[4-(2-oxo-1H-pyridin-3-yl)phenyl]-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate is sourced from PubChem (CID 90950309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).