2-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one

C13H21N3O — CID 102548933

IUPAC2-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCC1CNc2[nH]n(C3CCCCC3)c(=O)c2C1
InChIInChI=1S/C13H21N3O/c1-9-7-11-12(14-8-9)15-16(13(11)17)10-5-3-2-4-6-10/h9-10,14-15H,2-8H2,1H3
InChIKeyOLCZRLDDYIVMRA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.29
Rot. Bonds1

About 2-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one

2-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 102548933) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name2-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID102548933
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCC1CNc2[nH]n(C3CCCCC3)c(=O)c2C1
InChIInChI=1S/C13H21N3O/c1-9-7-11-12(14-8-9)15-16(13(11)17)10-5-3-2-4-6-10/h9-10,14-15H,2-8H2,1H3
InChIKeyOLCZRLDDYIVMRA-UHFFFAOYSA-N
XLogP2.29
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 2-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one (CID 102548933) is 2-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 2-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 2-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one is CC1CNc2[nH]n(C3CCCCC3)c(=O)c2C1.
What is the InChIKey of 2-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is OLCZRLDDYIVMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-7-11-12(14-8-9)15-16(13(11)17)10-5-3-2-4-6-10/h9-10,14-15H,2-8H2,1H3.
What are the key properties of 2-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one?
2-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 235.33 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 102548933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).