2-(4-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indazol-1-yl)benzoic acid

C19H15N3O3 — CID 110458733

IUPAC2-(4-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indazol-1-yl)benzoic acid
SMILESO=C(O)c1ccccc1-n1nc(-c2cccnc2)c2c1CCCC2=O
InChIInChI=1S/C19H15N3O3/c23-16-9-3-8-15-17(16)18(12-5-4-10-20-11-12)21-22(15)14-7-2-1-6-13(14)19(24)25/h1-2,4-7,10-11H,3,8-9H2,(H,24,25)
InChIKeyGNFXWBBBQJUAMX-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.15
Rot. Bonds3

About 2-(4-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indazol-1-yl)benzoic acid

2-(4-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indazol-1-yl)benzoic acid (PubChem CID 110458733) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-(4-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indazol-1-yl)benzoic acid.

Molecular Properties

Compound Name2-(4-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indazol-1-yl)benzoic acid
PubChem CID110458733
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name2-(4-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indazol-1-yl)benzoic acid
SMILESO=C(O)c1ccccc1-n1nc(-c2cccnc2)c2c1CCCC2=O
InChIInChI=1S/C19H15N3O3/c23-16-9-3-8-15-17(16)18(12-5-4-10-20-11-12)21-22(15)14-7-2-1-6-13(14)19(24)25/h1-2,4-7,10-11H,3,8-9H2,(H,24,25)
InChIKeyGNFXWBBBQJUAMX-UHFFFAOYSA-N
XLogP3.15
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-propan-2-yl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one
CID 82590520
methyl 2-(5-methyl-3-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate
CID 110458889
1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carboxylic acid
CID 43324353
1-(2-methyl-5-nitrophenyl)-3-phenyl-6,7-dihydro-5H-indazol-4-one
CID 110458777
1-(2-fluorophenyl)-5-pyridin-3-ylpyrazole-4-carboxylic acid
CID 82361520
3-(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid
CID 82587357
1-phenyl-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 82592488
3-pyridin-3-yl-1-pyrimidin-2-ylpyrazole-4-carboxylic acid
CID 43531851
2-pyridin-3-yl-N-pyrrolidin-1-ylbenzamide
CID 173109803
2-(4-amino-3-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl)benzoic acid
CID 82592592
3-methyl-2-pyridin-3-ylbenzoic acid
CID 46317094
1-phenyl-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 82370993

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indazol-1-yl)benzoic acid?
The IUPAC name of 2-(4-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indazol-1-yl)benzoic acid (CID 110458733) is 2-(4-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indazol-1-yl)benzoic acid.
What is the SMILES notation for 2-(4-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indazol-1-yl)benzoic acid?
The canonical SMILES for 2-(4-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indazol-1-yl)benzoic acid is O=C(O)c1ccccc1-n1nc(-c2cccnc2)c2c1CCCC2=O.
What is the InChIKey of 2-(4-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indazol-1-yl)benzoic acid?
The InChIKey is GNFXWBBBQJUAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-16-9-3-8-15-17(16)18(12-5-4-10-20-11-12)21-22(15)14-7-2-1-6-13(14)19(24)25/h1-2,4-7,10-11H,3,8-9H2,(H,24,25).
What are the key properties of 2-(4-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indazol-1-yl)benzoic acid?
2-(4-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indazol-1-yl)benzoic acid has a molecular weight of 333.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indazol-1-yl)benzoic acid is sourced from PubChem (CID 110458733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).