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

C14H15N3O — CID 65356619

IUPAC6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one
SMILESCC1(C)CC(=O)c2cnn(-c3ccccn3)c2C1
InChIInChI=1S/C14H15N3O/c1-14(2)7-11-10(12(18)8-14)9-16-17(11)13-5-3-4-6-15-13/h3-6,9H,7-8H2,1-2H3
InChIKeyZCFOYPZFSHGHCP-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.42
Rot. Bonds1

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

6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one (PubChem CID 65356619) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one
PubChem CID65356619
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one
SMILESCC1(C)CC(=O)c2cnn(-c3ccccn3)c2C1
InChIInChI=1S/C14H15N3O/c1-14(2)7-11-10(12(18)8-14)9-16-17(11)13-5-3-4-6-15-13/h3-6,9H,7-8H2,1-2H3
InChIKeyZCFOYPZFSHGHCP-UHFFFAOYSA-N
XLogP2.42
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.42
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
1-(4,6-dimethylpyrimidin-2-yl)-6-(3-methylphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 16457556
3-Methyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one
CID 66561650
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
1-[7-Methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 684290

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one?
The IUPAC name of 6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one (CID 65356619) is 6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one.
What is the SMILES notation for 6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one?
The canonical SMILES for 6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one is CC1(C)CC(=O)c2cnn(-c3ccccn3)c2C1.
What is the InChIKey of 6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one?
The InChIKey is ZCFOYPZFSHGHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-14(2)7-11-10(12(18)8-14)9-16-17(11)13-5-3-4-6-15-13/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one?
6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one has a molecular weight of 241.29 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one is sourced from PubChem (CID 65356619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).