1-cycloheptyl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one

C15H21N3O — CID 757649

IUPAC1-cycloheptyl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(C)c2c(=O)[nH]n(C3CCCCCC3)c2n1
InChIInChI=1S/C15H21N3O/c1-10-9-11(2)16-14-13(10)15(19)17-18(14)12-7-5-3-4-6-8-12/h9,12H,3-8H2,1-2H3,(H,17,19)
InChIKeyGRKGZJNNTAODIM-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.24
Rot. Bonds1

About 1-cycloheptyl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one

1-cycloheptyl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 757649) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-cycloheptyl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name1-cycloheptyl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID757649
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-cycloheptyl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(C)c2c(=O)[nH]n(C3CCCCCC3)c2n1
InChIInChI=1S/C15H21N3O/c1-10-9-11(2)16-14-13(10)15(19)17-18(14)12-7-5-3-4-6-8-12/h9,12H,3-8H2,1-2H3,(H,17,19)
InChIKeyGRKGZJNNTAODIM-UHFFFAOYSA-N
XLogP3.24
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 1-cycloheptyl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one (CID 757649) is 1-cycloheptyl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 1-cycloheptyl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 1-cycloheptyl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one is Cc1cc(C)c2c(=O)[nH]n(C3CCCCCC3)c2n1.
What is the InChIKey of 1-cycloheptyl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is GRKGZJNNTAODIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-9-11(2)16-14-13(10)15(19)17-18(14)12-7-5-3-4-6-8-12/h9,12H,3-8H2,1-2H3,(H,17,19).
What are the key properties of 1-cycloheptyl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one?
1-cycloheptyl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 259.35 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 757649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).