(6S)-6-(2,4-dimethoxyphenyl)-1,5,6,7-tetrahydroindazol-4-one

C15H16N2O3 — CID 40713699

IUPAC(6S)-6-(2,4-dimethoxyphenyl)-1,5,6,7-tetrahydroindazol-4-one
SMILESCOc1ccc([C@@H]2CC(=O)c3cn[nH]c3C2)c(OC)c1
InChIInChI=1S/C15H16N2O3/c1-19-10-3-4-11(15(7-10)20-2)9-5-13-12(8-16-17-13)14(18)6-9/h3-4,7-9H,5-6H2,1-2H3,(H,16,17)/t9-/m0/s1
InChIKeyPLKNZWBQGWXLDR-VIFPVBQESA-N
MW272.30 g/mol
LogP2.34
Rot. Bonds3

About (6S)-6-(2,4-dimethoxyphenyl)-1,5,6,7-tetrahydroindazol-4-one

(6S)-6-(2,4-dimethoxyphenyl)-1,5,6,7-tetrahydroindazol-4-one (PubChem CID 40713699) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (6S)-6-(2,4-dimethoxyphenyl)-1,5,6,7-tetrahydroindazol-4-one.

Molecular Properties

Compound Name(6S)-6-(2,4-dimethoxyphenyl)-1,5,6,7-tetrahydroindazol-4-one
PubChem CID40713699
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(6S)-6-(2,4-dimethoxyphenyl)-1,5,6,7-tetrahydroindazol-4-one
SMILESCOc1ccc([C@@H]2CC(=O)c3cn[nH]c3C2)c(OC)c1
InChIInChI=1S/C15H16N2O3/c1-19-10-3-4-11(15(7-10)20-2)9-5-13-12(8-16-17-13)14(18)6-9/h3-4,7-9H,5-6H2,1-2H3,(H,16,17)/t9-/m0/s1
InChIKeyPLKNZWBQGWXLDR-VIFPVBQESA-N
XLogP2.34
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-6-(4-methoxyphenyl)-1,5,6,7-tetrahydroindazol-4-one
CID 7306559
6-(2,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 66489467
5-(2,4-dimethoxyphenyl)-2-(hydroxymethylidene)cyclohexane-1,3-dione
CID 146459311
(6R)-6-(2-methylphenyl)-1,5,6,7-tetrahydroindazol-4-one
CID 41386744
(7R)-7-(2,4-dimethoxyphenyl)-2-(4-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 28629638
(6R)-6-phenyl-1,5,6,7-tetrahydroindazol-4-one
CID 7340088
(7R)-2-anilino-7-(2,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 28629810
(7S)-7-(2,4-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 40900113
(6R)-6-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 29101048
6-(2,4-dimethoxyphenyl)-2-(methoxymethyl)-3-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503909
2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-5-(2,4-dimethoxyphenyl)-3-hydroxycyclohex-2-en-1-one
CID 135645250
(7S)-7-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 7740914

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2,4-dimethoxyphenyl)-1,5,6,7-tetrahydroindazol-4-one?
The IUPAC name of (6S)-6-(2,4-dimethoxyphenyl)-1,5,6,7-tetrahydroindazol-4-one (CID 40713699) is (6S)-6-(2,4-dimethoxyphenyl)-1,5,6,7-tetrahydroindazol-4-one.
What is the SMILES notation for (6S)-6-(2,4-dimethoxyphenyl)-1,5,6,7-tetrahydroindazol-4-one?
The canonical SMILES for (6S)-6-(2,4-dimethoxyphenyl)-1,5,6,7-tetrahydroindazol-4-one is COc1ccc([C@@H]2CC(=O)c3cn[nH]c3C2)c(OC)c1.
What is the InChIKey of (6S)-6-(2,4-dimethoxyphenyl)-1,5,6,7-tetrahydroindazol-4-one?
The InChIKey is PLKNZWBQGWXLDR-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-10-3-4-11(15(7-10)20-2)9-5-13-12(8-16-17-13)14(18)6-9/h3-4,7-9H,5-6H2,1-2H3,(H,16,17)/t9-/m0/s1.
What are the key properties of (6S)-6-(2,4-dimethoxyphenyl)-1,5,6,7-tetrahydroindazol-4-one?
(6S)-6-(2,4-dimethoxyphenyl)-1,5,6,7-tetrahydroindazol-4-one has a molecular weight of 272.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(2,4-dimethoxyphenyl)-1,5,6,7-tetrahydroindazol-4-one is sourced from PubChem (CID 40713699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).