5-(4-oxopiperidine-1-carbonyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C19H20N4O4 — CID 166279517

IUPAC5-(4-oxopiperidine-1-carbonyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C1CCN(C(=O)N2CCc3c(c(C(=O)O)nn3-c3ccccc3)C2)CC1
InChIInChI=1S/C19H20N4O4/c24-14-6-9-21(10-7-14)19(27)22-11-8-16-15(12-22)17(18(25)26)20-23(16)13-4-2-1-3-5-13/h1-5H,6-12H2,(H,25,26)
InChIKeyYOFWDMXUISWKFL-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.71
Rot. Bonds2

About 5-(4-oxopiperidine-1-carbonyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

5-(4-oxopiperidine-1-carbonyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 166279517) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 5-(4-oxopiperidine-1-carbonyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-oxopiperidine-1-carbonyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID166279517
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name5-(4-oxopiperidine-1-carbonyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C1CCN(C(=O)N2CCc3c(c(C(=O)O)nn3-c3ccccc3)C2)CC1
InChIInChI=1S/C19H20N4O4/c24-14-6-9-21(10-7-14)19(27)22-11-8-16-15(12-22)17(18(25)26)20-23(16)13-4-2-1-3-5-13/h1-5H,6-12H2,(H,25,26)
InChIKeyYOFWDMXUISWKFL-UHFFFAOYSA-N
XLogP1.71
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-oxopiperidine-1-carbonyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid with MolForge

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Related Compounds

1,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 121435120
(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 16622795
5-acetyl-1-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 82588865
tert-butyl 1,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 58417776
phenyl-[4-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 46680389
1-phenyl-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 61296804
1-(4-iodophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 28976720
1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 16776357
(4-hydroxypiperidin-1-yl)-(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)methanone
CID 110895194
5-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56703951
1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 28974030
1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 16773246

Frequently Asked Questions

What is the IUPAC name of 5-(4-oxopiperidine-1-carbonyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-(4-oxopiperidine-1-carbonyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 166279517) is 5-(4-oxopiperidine-1-carbonyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-oxopiperidine-1-carbonyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-oxopiperidine-1-carbonyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is O=C1CCN(C(=O)N2CCc3c(c(C(=O)O)nn3-c3ccccc3)C2)CC1.
What is the InChIKey of 5-(4-oxopiperidine-1-carbonyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is YOFWDMXUISWKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c24-14-6-9-21(10-7-14)19(27)22-11-8-16-15(12-22)17(18(25)26)20-23(16)13-4-2-1-3-5-13/h1-5H,6-12H2,(H,25,26).
What are the key properties of 5-(4-oxopiperidine-1-carbonyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-(4-oxopiperidine-1-carbonyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 368.39 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-oxopiperidine-1-carbonyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 166279517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).