1-(4-fluorocyclohexyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine

C13H20FN3 — CID 134424318

IUPAC1-(4-fluorocyclohexyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
SMILESCC1CCc2c(cnn2C2CCC(F)CC2)N1
InChIInChI=1S/C13H20FN3/c1-9-2-7-13-12(16-9)8-15-17(13)11-5-3-10(14)4-6-11/h8-11,16H,2-7H2,1H3
InChIKeyOELWJVZAJBBKIU-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.08
Rot. Bonds1

About 1-(4-fluorocyclohexyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine

1-(4-fluorocyclohexyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine (PubChem CID 134424318) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(4-fluorocyclohexyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-(4-fluorocyclohexyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
PubChem CID134424318
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name1-(4-fluorocyclohexyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
SMILESCC1CCc2c(cnn2C2CCC(F)CC2)N1
InChIInChI=1S/C13H20FN3/c1-9-2-7-13-12(16-9)8-15-17(13)11-5-3-10(14)4-6-11/h8-11,16H,2-7H2,1H3
InChIKeyOELWJVZAJBBKIU-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorocyclohexyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorocyclohexyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The IUPAC name of 1-(4-fluorocyclohexyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine (CID 134424318) is 1-(4-fluorocyclohexyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-(4-fluorocyclohexyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-(4-fluorocyclohexyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine is CC1CCc2c(cnn2C2CCC(F)CC2)N1.
What is the InChIKey of 1-(4-fluorocyclohexyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The InChIKey is OELWJVZAJBBKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-9-2-7-13-12(16-9)8-15-17(13)11-5-3-10(14)4-6-11/h8-11,16H,2-7H2,1H3.
What are the key properties of 1-(4-fluorocyclohexyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
1-(4-fluorocyclohexyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine has a molecular weight of 237.32 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorocyclohexyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine is sourced from PubChem (CID 134424318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).