2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one

C18H15N3O — CID 755814

IUPAC2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2nn(-c3ccccc3)c(-c3cccnc3)c21
InChIInChI=1S/C18H15N3O/c22-16-10-4-9-15-17(16)18(13-6-5-11-19-12-13)21(20-15)14-7-2-1-3-8-14/h1-3,5-8,11-12H,4,9-10H2
InChIKeyJKGJQHGSVSURHS-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.45
Rot. Bonds2

About 2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one

2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one (PubChem CID 755814) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one
PubChem CID755814
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2nn(-c3ccccc3)c(-c3cccnc3)c21
InChIInChI=1S/C18H15N3O/c22-16-10-4-9-15-17(16)18(13-6-5-11-19-12-13)21(20-15)14-7-2-1-3-8-14/h1-3,5-8,11-12H,4,9-10H2
InChIKeyJKGJQHGSVSURHS-UHFFFAOYSA-N
XLogP3.45
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ibudilast
CID 3671
(3H)Cgs8216
CID 104916
1-Phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde
CID 877232
1-phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carbaldehyde
CID 877236
1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde
CID 555820
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57382333
14-Amino-5-(1-methylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one
CID 16036535
N-(2,3-dimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 16193945
1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde
CID 2497380
1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 4738557
N-(3-fluoro-4-pyridinyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165415060
2-(4-Fluoro-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo[4,3-c]quinolin-3-one
CID 44342846

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one (CID 755814) is 2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one is O=C1CCCc2nn(-c3ccccc3)c(-c3cccnc3)c21.
What is the InChIKey of 2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is JKGJQHGSVSURHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c22-16-10-4-9-15-17(16)18(13-6-5-11-19-12-13)21(20-15)14-7-2-1-3-8-14/h1-3,5-8,11-12H,4,9-10H2.
What are the key properties of 2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one?
2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 289.34 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 755814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).