1-(2,2-dimethyloxan-4-yl)-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one

C15H21N3O2 — CID 3152331

IUPAC1-(2,2-dimethyloxan-4-yl)-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(C)c2c(=O)[nH]n(C3CCOC(C)(C)C3)c2n1
InChIInChI=1S/C15H21N3O2/c1-9-7-10(2)16-13-12(9)14(19)17-18(13)11-5-6-20-15(3,4)8-11/h7,11H,5-6,8H2,1-4H3,(H,17,19)
InChIKeyKEDARAGILSGQPM-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.47
Rot. Bonds1

About 1-(2,2-dimethyloxan-4-yl)-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one

1-(2,2-dimethyloxan-4-yl)-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 3152331) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-4-yl)-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name1-(2,2-dimethyloxan-4-yl)-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID3152331
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(2,2-dimethyloxan-4-yl)-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(C)c2c(=O)[nH]n(C3CCOC(C)(C)C3)c2n1
InChIInChI=1S/C15H21N3O2/c1-9-7-10(2)16-13-12(9)14(19)17-18(13)11-5-6-20-15(3,4)8-11/h7,11H,5-6,8H2,1-4H3,(H,17,19)
InChIKeyKEDARAGILSGQPM-UHFFFAOYSA-N
XLogP2.47
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-Dimethyl-1,2-dihydro-3h-pyrazolo[3,4-b]pyridin-3-one
CID 230045
1,4,6-trimethyl-1H,2H,3H-pyrazolo(3,4-b)pyridin-3-one
CID 2728743
1-hexan-2-yl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
CID 3436932
4,6-dimethyl-1-(pentan-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-ol
CID 757651
4,6-Dimethyl-1-(pentan-2-yl)-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 2947675
Ethyl 3-(4,6-dimethyl-3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)propanoate
CID 3242203
1-cycloheptyl-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-ol
CID 757649
4,6-dimethyl-1-octan-2-yl-2H-pyrazolo[3,4-b]pyridin-3-one
CID 3925755
1-Isopropyl-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-ol
CID 652826
4,6-dimethyl-1-(1,2,5-trimethylpiperidin-4-yl)-1H-pyrazolo[3,4-b]pyridin-3-ol
CID 663830
1-heptan-4-yl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
CID 945786
1-sec-Butyl-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-ol
CID 647433

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyloxan-4-yl)-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 1-(2,2-dimethyloxan-4-yl)-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one (CID 3152331) is 1-(2,2-dimethyloxan-4-yl)-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 1-(2,2-dimethyloxan-4-yl)-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 1-(2,2-dimethyloxan-4-yl)-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one is Cc1cc(C)c2c(=O)[nH]n(C3CCOC(C)(C)C3)c2n1.
What is the InChIKey of 1-(2,2-dimethyloxan-4-yl)-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is KEDARAGILSGQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9-7-10(2)16-13-12(9)14(19)17-18(13)11-5-6-20-15(3,4)8-11/h7,11H,5-6,8H2,1-4H3,(H,17,19).
What are the key properties of 1-(2,2-dimethyloxan-4-yl)-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one?
1-(2,2-dimethyloxan-4-yl)-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 275.35 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxan-4-yl)-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 3152331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).