(6R)-6-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one

C23H24N2O4 — CID 29101048

IUPAC(6R)-6-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCOc1ccc(-n2nc(C)c3c2C[C@@H](c2ccc(OC)cc2OC)CC3=O)cc1
InChIInChI=1S/C23H24N2O4/c1-14-23-20(25(24-14)16-5-7-17(27-2)8-6-16)11-15(12-21(23)26)19-10-9-18(28-3)13-22(19)29-4/h5-10,13,15H,11-12H2,1-4H3/t15-/m1/s1
InChIKeyGQXDVVCVLHKCPA-OAHLLOKOSA-N
MW392.46 g/mol
LogP4.12
Rot. Bonds5

About (6R)-6-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one

(6R)-6-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 29101048) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is (6R)-6-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name(6R)-6-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
PubChem CID29101048
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name(6R)-6-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCOc1ccc(-n2nc(C)c3c2C[C@@H](c2ccc(OC)cc2OC)CC3=O)cc1
InChIInChI=1S/C23H24N2O4/c1-14-23-20(25(24-14)16-5-7-17(27-2)8-6-16)11-15(12-21(23)26)19-10-9-18(28-3)13-22(19)29-4/h5-10,13,15H,11-12H2,1-4H3/t15-/m1/s1
InChIKeyGQXDVVCVLHKCPA-OAHLLOKOSA-N
XLogP4.12
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6R)-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 29101050
(6S)-1-(4-chlorophenyl)-6-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 41455676
(6S)-3-methyl-1-(4-methylphenyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 29101008
(6S)-1-(4,6-dimethylpyrimidin-2-yl)-6-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 41387110
1-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 16585107
(6S)-3-methyl-1-(3-methylphenyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 29100926
(7S)-7-(2,4-dimethoxyphenyl)-4-methyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 28629541
(7S)-7-(2,4-dimethoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 7445342
(6R)-6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 41285980
(6R)-1-(1H-benzimidazol-2-yl)-6-(2-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 41387170
5-(2,4-dimethoxyphenyl)-2-(hydroxymethylidene)cyclohexane-1,3-dione
CID 146459311
(7S)-7-(2,4-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 40900113

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of (6R)-6-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one (CID 29101048) is (6R)-6-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for (6R)-6-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for (6R)-6-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one is COc1ccc(-n2nc(C)c3c2C[C@@H](c2ccc(OC)cc2OC)CC3=O)cc1.
What is the InChIKey of (6R)-6-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is GQXDVVCVLHKCPA-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-14-23-20(25(24-14)16-5-7-17(27-2)8-6-16)11-15(12-21(23)26)19-10-9-18(28-3)13-22(19)29-4/h5-10,13,15H,11-12H2,1-4H3/t15-/m1/s1.
What are the key properties of (6R)-6-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one?
(6R)-6-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 392.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 29101048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).