4,6-dimethyl-1-(1,2,5-trimethylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-one

C16H24N4O — CID 663830

IUPAC4,6-dimethyl-1-(1,2,5-trimethylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(C)c2c(=O)[nH]n(C3CC(C)N(C)CC3C)c2n1
InChIInChI=1S/C16H24N4O/c1-9-6-11(3)17-15-14(9)16(21)18-20(15)13-7-12(4)19(5)8-10(13)2/h6,10,12-13H,7-8H2,1-5H3,(H,18,21)
InChIKeyDNSOMCZSWHTTIF-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.24
Rot. Bonds1

About 4,6-dimethyl-1-(1,2,5-trimethylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-one

4,6-dimethyl-1-(1,2,5-trimethylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 663830) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4,6-dimethyl-1-(1,2,5-trimethylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name4,6-dimethyl-1-(1,2,5-trimethylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID663830
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4,6-dimethyl-1-(1,2,5-trimethylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(C)c2c(=O)[nH]n(C3CC(C)N(C)CC3C)c2n1
InChIInChI=1S/C16H24N4O/c1-9-6-11(3)17-15-14(9)16(21)18-20(15)13-7-12(4)19(5)8-10(13)2/h6,10,12-13H,7-8H2,1-5H3,(H,18,21)
InChIKeyDNSOMCZSWHTTIF-UHFFFAOYSA-N
XLogP2.24
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,6-dimethyl-1-(1,2,5-trimethylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-one with MolForge

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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
6-methyl-2,4-diphenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 879917
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
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-ol
CID 3152331
4,6-dimethyl-1-octan-2-yl-2H-pyrazolo[3,4-b]pyridin-3-one
CID 3925755
6-tert-Butyl-4-methyl-2-phenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 624592
1-Isopropyl-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-ol
CID 652826

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-(1,2,5-trimethylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 4,6-dimethyl-1-(1,2,5-trimethylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-one (CID 663830) is 4,6-dimethyl-1-(1,2,5-trimethylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 4,6-dimethyl-1-(1,2,5-trimethylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 4,6-dimethyl-1-(1,2,5-trimethylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-one is Cc1cc(C)c2c(=O)[nH]n(C3CC(C)N(C)CC3C)c2n1.
What is the InChIKey of 4,6-dimethyl-1-(1,2,5-trimethylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is DNSOMCZSWHTTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-9-6-11(3)17-15-14(9)16(21)18-20(15)13-7-12(4)19(5)8-10(13)2/h6,10,12-13H,7-8H2,1-5H3,(H,18,21).
What are the key properties of 4,6-dimethyl-1-(1,2,5-trimethylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-one?
4,6-dimethyl-1-(1,2,5-trimethylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 288.39 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-(1,2,5-trimethylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 663830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).