(6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one

C20H18N2O2 — CID 7447090

IUPAC(6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESCOc1ccc([C@@H]2CC(=O)c3cnn(-c4ccccc4)c3C2)cc1
InChIInChI=1S/C20H18N2O2/c1-24-17-9-7-14(8-10-17)15-11-19-18(20(23)12-15)13-21-22(19)16-5-3-2-4-6-16/h2-10,13,15H,11-12H2,1H3/t15-/m0/s1
InChIKeyCRENPWFPUSBENH-HNNXBMFYSA-N
MW318.38 g/mol
LogP3.79
Rot. Bonds3

About (6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one

(6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 7447090) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is (6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name(6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one
PubChem CID7447090
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name(6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESCOc1ccc([C@@H]2CC(=O)c3cnn(-c4ccccc4)c3C2)cc1
InChIInChI=1S/C20H18N2O2/c1-24-17-9-7-14(8-10-17)15-11-19-18(20(23)12-15)13-21-22(19)16-5-3-2-4-6-16/h2-10,13,15H,11-12H2,1H3/t15-/m0/s1
InChIKeyCRENPWFPUSBENH-HNNXBMFYSA-N
XLogP3.79
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 26433714
1-(4-methoxyphenyl)-6-(3-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17079297
6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17228245
(6S)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 29101010
(6S)-1,6-bis(4-chlorophenyl)-6,7-dihydro-5H-indazol-4-one
CID 40917572
(6R)-1-(3-methylphenyl)-6-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 29100843
6-(4-chlorophenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17228221
methyl 8-(4-methoxyphenyl)-6-oxo-8,9-dihydro-7H-pyrazolo[1,5-a]quinazoline-3-carboxylate
CID 66506033
6-(2-methylphenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17067795
2-(methoxymethyl)-8-(4-methoxyphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 17190733
N-(4-chlorophenyl)-4-(4-oxo-6-phenyl-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide
CID 164625286
(6S)-2-(4-bromophenyl)-1-(4-methoxyphenyl)-6-phenyl-6,7-dihydro-5H-indol-4-one
CID 51664969

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of (6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one (CID 7447090) is (6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for (6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for (6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one is COc1ccc([C@@H]2CC(=O)c3cnn(-c4ccccc4)c3C2)cc1.
What is the InChIKey of (6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is CRENPWFPUSBENH-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-24-17-9-7-14(8-10-17)15-11-19-18(20(23)12-15)13-21-22(19)16-5-3-2-4-6-16/h2-10,13,15H,11-12H2,1H3/t15-/m0/s1.
What are the key properties of (6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one?
(6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 318.38 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 7447090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).