2,6-dimethyl-4-propan-2-ylpyrazolo[3,4-c]pyridin-7-one

C11H15N3O — CID 175615657

IUPAC2,6-dimethyl-4-propan-2-ylpyrazolo[3,4-c]pyridin-7-one
SMILESCC(C)c1cn(C)c(=O)c2nn(C)cc12
InChIInChI=1S/C11H15N3O/c1-7(2)8-5-13(3)11(15)10-9(8)6-14(4)12-10/h5-7H,1-4H3
InChIKeyBDXXNRGVEMZDDE-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.40
Rot. Bonds1

About 2,6-dimethyl-4-propan-2-ylpyrazolo[3,4-c]pyridin-7-one

2,6-dimethyl-4-propan-2-ylpyrazolo[3,4-c]pyridin-7-one (PubChem CID 175615657) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2,6-dimethyl-4-propan-2-ylpyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name2,6-dimethyl-4-propan-2-ylpyrazolo[3,4-c]pyridin-7-one
PubChem CID175615657
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2,6-dimethyl-4-propan-2-ylpyrazolo[3,4-c]pyridin-7-one
SMILESCC(C)c1cn(C)c(=O)c2nn(C)cc12
InChIInChI=1S/C11H15N3O/c1-7(2)8-5-13(3)11(15)10-9(8)6-14(4)12-10/h5-7H,1-4H3
InChIKeyBDXXNRGVEMZDDE-UHFFFAOYSA-N
XLogP1.40
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(tert-butyl)-4-isopropyl-6-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyridazin-7(6H)-one
CID 44036977
1-tert-butyl-6-[2-oxo-2-(piperidin-1-yl)ethyl]-4-(propan-2-yl)-1H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one
CID 44037021
2-(1-(tert-butyl)-4-isopropyl-7-oxo-1H-pyrazolo[3,4-d]pyridazin-6(7H)-yl)-N,N-diethylacetamide
CID 44037083
1-(tert-butyl)-4,6-diisopropyl-1H-pyrazolo[3,4-d]pyridazin-7(6H)-one
CID 44036976
2-(1-(tert-butyl)-4-isopropyl-7-oxo-1H-pyrazolo[3,4-d]pyridazin-6(7H)-yl)acetamide
CID 44036980
1,6-Dimethylpyrazolo[5,4-c]pyridin-7-one
CID 12342647
4-ethyl-N-methoxy-N,1-dimethylpyrazole-3-carboxamide
CID 54393293
1-Ethyl-6-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 59319507
1,3,6-Trimethylpyrazolo[5,4-c]pyridin-7-one
CID 59908917
2-Methyl-4,5,6,7-tetrahydro-2H-indazol-7-one
CID 83872470
1,4-Di(propan-2-yl)pyrazole-3-carboxamide
CID 90145856
2-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-3-carbamoylpyrazol-1-yl]acetic acid
CID 126642972

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-propan-2-ylpyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 2,6-dimethyl-4-propan-2-ylpyrazolo[3,4-c]pyridin-7-one (CID 175615657) is 2,6-dimethyl-4-propan-2-ylpyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 2,6-dimethyl-4-propan-2-ylpyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 2,6-dimethyl-4-propan-2-ylpyrazolo[3,4-c]pyridin-7-one is CC(C)c1cn(C)c(=O)c2nn(C)cc12.
What is the InChIKey of 2,6-dimethyl-4-propan-2-ylpyrazolo[3,4-c]pyridin-7-one?
The InChIKey is BDXXNRGVEMZDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7(2)8-5-13(3)11(15)10-9(8)6-14(4)12-10/h5-7H,1-4H3.
What are the key properties of 2,6-dimethyl-4-propan-2-ylpyrazolo[3,4-c]pyridin-7-one?
2,6-dimethyl-4-propan-2-ylpyrazolo[3,4-c]pyridin-7-one has a molecular weight of 205.26 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-propan-2-ylpyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 175615657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).