6-methyl-3-(naphthalen-2-ylamino)-1-phenyl-6,7-dihydro-5H-indazol-4-one

C24H21N3O — CID 16652711

IUPAC6-methyl-3-(naphthalen-2-ylamino)-1-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESCC1CC(=O)c2c(Nc3ccc4ccccc4c3)nn(-c3ccccc3)c2C1
InChIInChI=1S/C24H21N3O/c1-16-13-21-23(22(28)14-16)24(26-27(21)20-9-3-2-4-10-20)25-19-12-11-17-7-5-6-8-18(17)15-19/h2-12,15-16H,13-14H2,1H3,(H,25,26)
InChIKeyINWWIJKUMGZHFS-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.53
Rot. Bonds3

About 6-methyl-3-(naphthalen-2-ylamino)-1-phenyl-6,7-dihydro-5H-indazol-4-one

6-methyl-3-(naphthalen-2-ylamino)-1-phenyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 16652711) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-methyl-3-(naphthalen-2-ylamino)-1-phenyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name6-methyl-3-(naphthalen-2-ylamino)-1-phenyl-6,7-dihydro-5H-indazol-4-one
PubChem CID16652711
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name6-methyl-3-(naphthalen-2-ylamino)-1-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESCC1CC(=O)c2c(Nc3ccc4ccccc4c3)nn(-c3ccccc3)c2C1
InChIInChI=1S/C24H21N3O/c1-16-13-21-23(22(28)14-16)24(26-27(21)20-9-3-2-4-10-20)25-19-12-11-17-7-5-6-8-18(17)15-19/h2-12,15-16H,13-14H2,1H3,(H,25,26)
InChIKeyINWWIJKUMGZHFS-UHFFFAOYSA-N
XLogP5.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-6-methyl-3-(4-methylanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 29109043
3-(4-methoxyanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 17035497
(6R)-6-methyl-3-(2-methylanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 29109091
(6S)-1-(4-methoxyphenyl)-6-methyl-3-(3-methylanilino)-6,7-dihydro-5H-indazol-4-one
CID 29157338
3-(2-fluoroanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 16652693
(6S)-3-(2,4-dimethylanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 29109045
(6R)-3-(4-fluoroanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 29157323
(6S)-3-(2-methoxyanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 29109067
(6S)-3-(3-chloroanilino)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 29109202
1-(4-chlorophenyl)-3-(4-ethylanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 43903684
3-(4-ethylanilino)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 16652769
3-(4-chloroanilino)-1-(4,6-dimethylpyrimidin-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 43903714

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(naphthalen-2-ylamino)-1-phenyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 6-methyl-3-(naphthalen-2-ylamino)-1-phenyl-6,7-dihydro-5H-indazol-4-one (CID 16652711) is 6-methyl-3-(naphthalen-2-ylamino)-1-phenyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 6-methyl-3-(naphthalen-2-ylamino)-1-phenyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 6-methyl-3-(naphthalen-2-ylamino)-1-phenyl-6,7-dihydro-5H-indazol-4-one is CC1CC(=O)c2c(Nc3ccc4ccccc4c3)nn(-c3ccccc3)c2C1.
What is the InChIKey of 6-methyl-3-(naphthalen-2-ylamino)-1-phenyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is INWWIJKUMGZHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-16-13-21-23(22(28)14-16)24(26-27(21)20-9-3-2-4-10-20)25-19-12-11-17-7-5-6-8-18(17)15-19/h2-12,15-16H,13-14H2,1H3,(H,25,26).
What are the key properties of 6-methyl-3-(naphthalen-2-ylamino)-1-phenyl-6,7-dihydro-5H-indazol-4-one?
6-methyl-3-(naphthalen-2-ylamino)-1-phenyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 367.45 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(naphthalen-2-ylamino)-1-phenyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 16652711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).