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

C22H24N4O3 — CID 41285980

IUPAC(6R)-6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCOc1ccc([C@H]2CC(=O)c3c(C)nn(-c4nc(C)cc(C)n4)c3C2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-12-8-13(2)24-22(23-12)26-17-9-16(10-18(27)21(17)14(3)25-26)15-6-7-19(28-4)20(11-15)29-5/h6-8,11,16H,9-10H2,1-5H3/t16-/m1/s1
InChIKeyPZWQGZPVTGIZJQ-MRXNPFEDSA-N
MW392.46 g/mol
LogP3.52
Rot. Bonds4

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

(6R)-6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 41285980) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (6R)-6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name(6R)-6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one
PubChem CID41285980
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(6R)-6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCOc1ccc([C@H]2CC(=O)c3c(C)nn(-c4nc(C)cc(C)n4)c3C2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-12-8-13(2)24-22(23-12)26-17-9-16(10-18(27)21(17)14(3)25-26)15-6-7-19(28-4)20(11-15)29-5/h6-8,11,16H,9-10H2,1-5H3/t16-/m1/s1
InChIKeyPZWQGZPVTGIZJQ-MRXNPFEDSA-N
XLogP3.52
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(6S)-1-(4,6-dimethylpyrimidin-2-yl)-6-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 41387110
(6R)-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 29101050
1-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 16585107
(6S)-3-methyl-1-(4-methylphenyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 29101008
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6-thiophen-2-yl-6,7-dihydro-5H-indazol-4-one
CID 17168557
(6S)-3-methyl-1-(3-methylphenyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 29100926
(6R)-6-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 29101048
(6S)-1-(4-chlorophenyl)-6-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 41455676
1-(4,6-dimethylpyrimidin-2-yl)-6-(2-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one
CID 16584395
1-(4,6-dimethylpyrimidin-2-yl)-6-(4-fluorophenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one
CID 16584391
1-(4,6-dimethylpyrimidin-2-yl)-3-(ethylamino)-6-(2-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17172504
6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17228245

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of (6R)-6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one (CID 41285980) is (6R)-6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for (6R)-6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for (6R)-6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one is COc1ccc([C@H]2CC(=O)c3c(C)nn(-c4nc(C)cc(C)n4)c3C2)cc1OC.
What is the InChIKey of (6R)-6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is PZWQGZPVTGIZJQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-12-8-13(2)24-22(23-12)26-17-9-16(10-18(27)21(17)14(3)25-26)15-6-7-19(28-4)20(11-15)29-5/h6-8,11,16H,9-10H2,1-5H3/t16-/m1/s1.
What are the key properties of (6R)-6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one?
(6R)-6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 392.46 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 41285980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).