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

C23H19N3O — CID 25016886

IUPAC7-(4-methylphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one
SMILESCc1ccc(-c2ccc3c(c2)CCc2[nH]n(-c4ccccn4)c(=O)c2-3)cc1
InChIInChI=1S/C23H19N3O/c1-15-5-7-16(8-6-15)17-9-11-19-18(14-17)10-12-20-22(19)23(27)26(25-20)21-4-2-3-13-24-21/h2-9,11,13-14,25H,10,12H2,1H3
InChIKeyGJLFCFYETBPUNI-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.30
Rot. Bonds2

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

7-(4-methylphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one (PubChem CID 25016886) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 7-(4-methylphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one.

Molecular Properties

Compound Name7-(4-methylphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one
PubChem CID25016886
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name7-(4-methylphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one
SMILESCc1ccc(-c2ccc3c(c2)CCc2[nH]n(-c4ccccn4)c(=O)c2-3)cc1
InChIInChI=1S/C23H19N3O/c1-15-5-7-16(8-6-15)17-9-11-19-18(14-17)10-12-20-22(19)23(27)26(25-20)21-4-2-3-13-24-21/h2-9,11,13-14,25H,10,12H2,1H3
InChIKeyGJLFCFYETBPUNI-UHFFFAOYSA-N
XLogP4.30
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one?
The IUPAC name of 7-(4-methylphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one (CID 25016886) is 7-(4-methylphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one.
What is the SMILES notation for 7-(4-methylphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one?
The canonical SMILES for 7-(4-methylphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one is Cc1ccc(-c2ccc3c(c2)CCc2[nH]n(-c4ccccn4)c(=O)c2-3)cc1.
What is the InChIKey of 7-(4-methylphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one?
The InChIKey is GJLFCFYETBPUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-15-5-7-16(8-6-15)17-9-11-19-18(14-17)10-12-20-22(19)23(27)26(25-20)21-4-2-3-13-24-21/h2-9,11,13-14,25H,10,12H2,1H3.
What are the key properties of 7-(4-methylphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one?
7-(4-methylphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one has a molecular weight of 353.43 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one is sourced from PubChem (CID 25016886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).