1-(4,6-dimethylpyrimidin-2-yl)-6-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one

C20H20N4O2 — CID 4892660

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-6-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
SMILESCOc1ccc(C2CC(=O)c3cnn(-c4nc(C)cc(C)n4)c3C2)cc1
InChIInChI=1S/C20H20N4O2/c1-12-8-13(2)23-20(22-12)24-18-9-15(10-19(25)17(18)11-21-24)14-4-6-16(26-3)7-5-14/h4-8,11,15H,9-10H2,1-3H3
InChIKeyQUYCKUSSFBRZPQ-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.20
Rot. Bonds3

About 1-(4,6-dimethylpyrimidin-2-yl)-6-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one

1-(4,6-dimethylpyrimidin-2-yl)-6-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 4892660) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-6-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-6-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
PubChem CID4892660
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-6-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
SMILESCOc1ccc(C2CC(=O)c3cnn(-c4nc(C)cc(C)n4)c3C2)cc1
InChIInChI=1S/C20H20N4O2/c1-12-8-13(2)23-20(22-12)24-18-9-15(10-19(25)17(18)11-21-24)14-4-6-16(26-3)7-5-14/h4-8,11,15H,9-10H2,1-3H3
InChIKeyQUYCKUSSFBRZPQ-UHFFFAOYSA-N
XLogP3.20
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-Methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 754768
2-[(4-ethylphenyl)amino]-7-(4-methoxyphenyl)-7,8-dihydroquinazolin-5(6H)-one
CID 3601490
7-(4-methoxyphenyl)-2-(phenylamino)-7,8-dihydroquinazolin-5(6H)-one
CID 16490582
6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 4896838
[1-Benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 16298601
3-(4-methoxyphenyl)-2-methyl-8-(4-methylphenyl)-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
CID 16457439
(4-methoxyphenyl)-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 162660696
8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
CID 3162808
8-(3,4-dimethoxyphenyl)-2-methyl-3-phenyl-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
CID 4887270
1-[3-(2-Methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 2201513
1-(4,6-dimethylpyrimidin-2-yl)-6-phenyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 4970148
Ethyl 2-(4-ethoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 16019037

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-6-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-6-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one (CID 4892660) is 1-(4,6-dimethylpyrimidin-2-yl)-6-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-6-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-6-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one is COc1ccc(C2CC(=O)c3cnn(-c4nc(C)cc(C)n4)c3C2)cc1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-6-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is QUYCKUSSFBRZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-12-8-13(2)23-20(22-12)24-18-9-15(10-19(25)17(18)11-21-24)14-4-6-16(26-3)7-5-14/h4-8,11,15H,9-10H2,1-3H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-6-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one?
1-(4,6-dimethylpyrimidin-2-yl)-6-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 348.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-6-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 4892660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).