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

C18H15N3O — CID 3241417

IUPAC2-phenyl-3-pyridin-4-yl-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2nn(-c3ccccc3)c(-c3ccncc3)c21
InChIInChI=1S/C18H15N3O/c22-16-8-4-7-15-17(16)18(13-9-11-19-12-10-13)21(20-15)14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8H2
InChIKeyRBAWWJIFEASVEK-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.45
Rot. Bonds2

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

2-phenyl-3-pyridin-4-yl-6,7-dihydro-5H-indazol-4-one (PubChem CID 3241417) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-phenyl-3-pyridin-4-yl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name2-phenyl-3-pyridin-4-yl-6,7-dihydro-5H-indazol-4-one
PubChem CID3241417
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name2-phenyl-3-pyridin-4-yl-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2nn(-c3ccccc3)c(-c3ccncc3)c21
InChIInChI=1S/C18H15N3O/c22-16-8-4-7-15-17(16)18(13-9-11-19-12-10-13)21(20-15)14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8H2
InChIKeyRBAWWJIFEASVEK-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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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-pyridin-4-yl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 2-phenyl-3-pyridin-4-yl-6,7-dihydro-5H-indazol-4-one (CID 3241417) is 2-phenyl-3-pyridin-4-yl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 2-phenyl-3-pyridin-4-yl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 2-phenyl-3-pyridin-4-yl-6,7-dihydro-5H-indazol-4-one is O=C1CCCc2nn(-c3ccccc3)c(-c3ccncc3)c21.
What is the InChIKey of 2-phenyl-3-pyridin-4-yl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is RBAWWJIFEASVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c22-16-8-4-7-15-17(16)18(13-9-11-19-12-10-13)21(20-15)14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8H2.
What are the key properties of 2-phenyl-3-pyridin-4-yl-6,7-dihydro-5H-indazol-4-one?
2-phenyl-3-pyridin-4-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-4-yl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 3241417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).