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

C22H23N3O — CID 29109045

IUPAC(6S)-3-(2,4-dimethylanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESCc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@@H](C)C3)c(C)c1
InChIInChI=1S/C22H23N3O/c1-14-9-10-18(16(3)11-14)23-22-21-19(12-15(2)13-20(21)26)25(24-22)17-7-5-4-6-8-17/h4-11,15H,12-13H2,1-3H3,(H,23,24)/t15-/m0/s1
InChIKeyBYSIULDUQLBBCA-HNNXBMFYSA-N
MW345.45 g/mol
LogP5.00
Rot. Bonds3

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

(6S)-3-(2,4-dimethylanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 29109045) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is (6S)-3-(2,4-dimethylanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name(6S)-3-(2,4-dimethylanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one
PubChem CID29109045
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name(6S)-3-(2,4-dimethylanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESCc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@@H](C)C3)c(C)c1
InChIInChI=1S/C22H23N3O/c1-14-9-10-18(16(3)11-14)23-22-21-19(12-15(2)13-20(21)26)25(24-22)17-7-5-4-6-8-17/h4-11,15H,12-13H2,1-3H3,(H,23,24)/t15-/m0/s1
InChIKeyBYSIULDUQLBBCA-HNNXBMFYSA-N
XLogP5.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S)-3-(2,4-dimethylanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one with MolForge

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Related Compounds

(6R)-6-methyl-3-(2-methylanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 29109091
(6R)-6-methyl-3-(4-methylanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 29109043
3-(2-fluoroanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 16652693
(6S)-3-(2-methoxyanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 29109067
6-methyl-3-(naphthalen-2-ylamino)-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 16652711
1-(4-chlorophenyl)-3-(2-fluoroanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 43903679
3-(2,4-dimethylanilino)-1-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one
CID 16652741
3-(4-methoxyanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 17035497
(6S)-3-(3-chloroanilino)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 29109202
3-(3,4-dichloroanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 17035506
1-(1H-benzimidazol-2-yl)-3-(2-ethylanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 43903769
3-(4-ethylanilino)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 16652769

Frequently Asked Questions

What is the IUPAC name of (6S)-3-(2,4-dimethylanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of (6S)-3-(2,4-dimethylanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one (CID 29109045) is (6S)-3-(2,4-dimethylanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for (6S)-3-(2,4-dimethylanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for (6S)-3-(2,4-dimethylanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one is Cc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@@H](C)C3)c(C)c1.
What is the InChIKey of (6S)-3-(2,4-dimethylanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is BYSIULDUQLBBCA-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-14-9-10-18(16(3)11-14)23-22-21-19(12-15(2)13-20(21)26)25(24-22)17-7-5-4-6-8-17/h4-11,15H,12-13H2,1-3H3,(H,23,24)/t15-/m0/s1.
What are the key properties of (6S)-3-(2,4-dimethylanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one?
(6S)-3-(2,4-dimethylanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 345.45 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-(2,4-dimethylanilino)-6-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 29109045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).