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

C21H20N2O3 — CID 26433714

IUPAC(6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
SMILESCOc1ccc([C@@H]2CC(=O)c3cnn(-c4ccc(OC)cc4)c3C2)cc1
InChIInChI=1S/C21H20N2O3/c1-25-17-7-3-14(4-8-17)15-11-20-19(21(24)12-15)13-22-23(20)16-5-9-18(26-2)10-6-16/h3-10,13,15H,11-12H2,1-2H3/t15-/m0/s1
InChIKeyJOAYRYZGWGNMRS-HNNXBMFYSA-N
MW348.40 g/mol
LogP3.80
Rot. Bonds4

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

(6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 26433714) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name(6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
PubChem CID26433714
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
SMILESCOc1ccc([C@@H]2CC(=O)c3cnn(-c4ccc(OC)cc4)c3C2)cc1
InChIInChI=1S/C21H20N2O3/c1-25-17-7-3-14(4-8-17)15-11-20-19(21(24)12-15)13-22-23(20)16-5-9-18(26-2)10-6-16/h3-10,13,15H,11-12H2,1-2H3/t15-/m0/s1
InChIKeyJOAYRYZGWGNMRS-HNNXBMFYSA-N
XLogP3.80
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 7447090
6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17228245
1-(4-methoxyphenyl)-6-(3-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17079297
(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
6-(4-chlorophenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17228221
(6R)-1-(3-methylphenyl)-6-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 29100843
methyl 8-(4-methoxyphenyl)-6-oxo-8,9-dihydro-7H-pyrazolo[1,5-a]quinazoline-3-carboxylate
CID 66506033
(6S)-1-(4-chlorophenyl)-6-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 41455676
6-methyl-1-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-indazol-4-one
CID 53418826
6-(2-methylphenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17067795
1-(4,6-dimethylpyrimidin-2-yl)-6-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 4888861

Frequently Asked Questions

What is the IUPAC name of (6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of (6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one (CID 26433714) is (6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for (6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for (6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one is COc1ccc([C@@H]2CC(=O)c3cnn(-c4ccc(OC)cc4)c3C2)cc1.
What is the InChIKey of (6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is JOAYRYZGWGNMRS-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-25-17-7-3-14(4-8-17)15-11-20-19(21(24)12-15)13-22-23(20)16-5-9-18(26-2)10-6-16/h3-10,13,15H,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one?
(6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 348.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 26433714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).