2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one

C16H13N3O — CID 25016113

IUPAC2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one
SMILESO=c1c2c([nH]n1-c1ccccn1)CCc1ccccc1-2
InChIInChI=1S/C16H13N3O/c20-16-15-12-6-2-1-5-11(12)8-9-13(15)18-19(16)14-7-3-4-10-17-14/h1-7,10,18H,8-9H2
InChIKeyBKZBNMNLRQXSHY-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.33
Rot. Bonds1

About 2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one

2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one (PubChem CID 25016113) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one.

Molecular Properties

Compound Name2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one
PubChem CID25016113
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one
SMILESO=c1c2c([nH]n1-c1ccccn1)CCc1ccccc1-2
InChIInChI=1S/C16H13N3O/c20-16-15-12-6-2-1-5-11(12)8-9-13(15)18-19(16)14-7-3-4-10-17-14/h1-7,10,18H,8-9H2
InChIKeyBKZBNMNLRQXSHY-UHFFFAOYSA-N
XLogP2.33
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Phenyl-1-(pyridin-2-yl)-4,5-dihydro-1h-pyrazol-5-one
CID 14050877
2-methyl-N-pyridin-2-ylbenzamide
CID 799062
2-methyl-N-(4-methylpyridin-2-yl)benzamide
CID 3363325
3-Methyl-4-phenyl-1-(pyridin-2-yl)-1h-pyrazol-5-ol
CID 13590499
4-(4-methylphenyl)-2-phenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 6461855
2,4-diphenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 6463281
2-(Pyridin-2-yl)-2,3-dihydrophthalazine-1,4-dione
CID 700853
2,2-diphenyl-N'-pyridin-2-ylacetohydrazide
CID 803777
7-bromo-2-pyridin-2-yl-4,5-dihydro-2H-benzo[e]indazol-1-ol
CID 24938152
N-(5-Phenylpyridin-2-yl)benzamide
CID 24949411
1-hydroxy-2-pyridin-2-yl-4,5-dihydro-2H-benzo[e]indazole-7-carbonitrile
CID 25016370
7-phenyl-2-pyridin-2-yl-4,5-dihydro-2H-benzo[e]indazol-1-ol
CID 25016883

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one?
The IUPAC name of 2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one (CID 25016113) is 2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one.
What is the SMILES notation for 2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one?
The canonical SMILES for 2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one is O=c1c2c([nH]n1-c1ccccn1)CCc1ccccc1-2.
What is the InChIKey of 2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one?
The InChIKey is BKZBNMNLRQXSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c20-16-15-12-6-2-1-5-11(12)8-9-13(15)18-19(16)14-7-3-4-10-17-14/h1-7,10,18H,8-9H2.
What are the key properties of 2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one?
2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one has a molecular weight of 263.30 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one is sourced from PubChem (CID 25016113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).