3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one

C15H17N3O — CID 4165246

IUPAC3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one
SMILESCc1nn(-c2ccccn2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C15H17N3O/c1-10-14-11(8-15(2,3)9-12(14)19)18(17-10)13-6-4-5-7-16-13/h4-7H,8-9H2,1-3H3
InChIKeyOHOVLKMNUQMKNK-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.73
Rot. Bonds1

About 3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one

3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one (PubChem CID 4165246) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one.

Molecular Properties

Compound Name3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one
PubChem CID4165246
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one
SMILESCc1nn(-c2ccccn2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C15H17N3O/c1-10-14-11(8-15(2,3)9-12(14)19)18(17-10)13-6-4-5-7-16-13/h4-7H,8-9H2,1-3H3
InChIKeyOHOVLKMNUQMKNK-UHFFFAOYSA-N
XLogP2.73
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-Bromo-3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one
CID 4073986
2-(2,3-dihydro-1H-indol-1-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 943239
1-(7-Methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 641891
1-(7-Methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 708078
6,6-dimethyl-3-pyridin-3-yl-5,7-dihydro-1H-indazol-4-one
CID 712791
6,6-Dimethyl-2-phenyl-3-pyridin-4-yl-5,7-dihydroindazol-4-one
CID 752155
2-phenyl-3-pyridin-4-yl-6,7-dihydro-5H-indazol-4-one
CID 3241417
1-(4,6-dimethylpyrimidin-2-yl)-6-(3-methylphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 16457556
1-(4-Aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
CID 25062832
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-tert-butylpyrazol-1-yl)pyridine-3-carboxamide
CID 66720071
1-(4,6-dimethylpyrimidin-2-yl)-6-(4-fluorophenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 3159876
2-methyl-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
CID 666897

Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one?
The IUPAC name of 3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one (CID 4165246) is 3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one.
What is the SMILES notation for 3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one?
The canonical SMILES for 3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one is Cc1nn(-c2ccccn2)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one?
The InChIKey is OHOVLKMNUQMKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-14-11(8-15(2,3)9-12(14)19)18(17-10)13-6-4-5-7-16-13/h4-7H,8-9H2,1-3H3.
What are the key properties of 3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one?
3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one has a molecular weight of 255.32 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one is sourced from PubChem (CID 4165246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).