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

C22H17N3O — CID 25016883

IUPAC7-phenyl-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one
SMILESO=c1c2c([nH]n1-c1ccccn1)CCc1cc(-c3ccccc3)ccc1-2
InChIInChI=1S/C22H17N3O/c26-22-21-18-11-9-16(15-6-2-1-3-7-15)14-17(18)10-12-19(21)24-25(22)20-8-4-5-13-23-20/h1-9,11,13-14,24H,10,12H2
InChIKeyIFAGUNWEPDMATO-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.99
Rot. Bonds2

About 7-phenyl-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one

7-phenyl-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one (PubChem CID 25016883) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 7-phenyl-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one.

Molecular Properties

Compound Name7-phenyl-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one
PubChem CID25016883
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name7-phenyl-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one
SMILESO=c1c2c([nH]n1-c1ccccn1)CCc1cc(-c3ccccc3)ccc1-2
InChIInChI=1S/C22H17N3O/c26-22-21-18-11-9-16(15-6-2-1-3-7-15)14-17(18)10-12-19(21)24-25(22)20-8-4-5-13-23-20/h1-9,11,13-14,24H,10,12H2
InChIKeyIFAGUNWEPDMATO-UHFFFAOYSA-N
XLogP3.99
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Difenpiramide
CID 100472
N-(pyridin-2-yl)biphenyl-4-carboxamide
CID 669449
4-[(3-{[4-(Pyridin-2-yl)piperazin-1-yl]carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one
CID 25132613
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
N-(4-methylpyridin-2-yl)-2-(4-phenylphenyl)acetamide
CID 24238955
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
DMT1 blocker 2
CID 25016113
1-hydroxy-2-pyridin-2-yl-4,5-dihydro-2H-benzo[e]indazole-7-carbonitrile
CID 25016370
2-pyridin-2-yl-7-p-tolyl-4,5-dihydro-2H-benzo[e]indazol-1-ol
CID 25016886

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one?
The IUPAC name of 7-phenyl-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one (CID 25016883) is 7-phenyl-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one.
What is the SMILES notation for 7-phenyl-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one?
The canonical SMILES for 7-phenyl-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one is O=c1c2c([nH]n1-c1ccccn1)CCc1cc(-c3ccccc3)ccc1-2.
What is the InChIKey of 7-phenyl-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one?
The InChIKey is IFAGUNWEPDMATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c26-22-21-18-11-9-16(15-6-2-1-3-7-15)14-17(18)10-12-19(21)24-25(22)20-8-4-5-13-23-20/h1-9,11,13-14,24H,10,12H2.
What are the key properties of 7-phenyl-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one?
7-phenyl-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one has a molecular weight of 339.40 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one is sourced from PubChem (CID 25016883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).