1-cyclohexyl-3,4,6-trimethylpyrazolo[5,4-b]pyridine

C15H21N3 — CID 755047

IUPAC1-cyclohexyl-3,4,6-trimethylpyrazolo[5,4-b]pyridine
SMILESCc1cc(C)c2c(C)nn(C3CCCCC3)c2n1
InChIInChI=1S/C15H21N3/c1-10-9-11(2)16-15-14(10)12(3)17-18(15)13-7-5-4-6-8-13/h9,13H,4-8H2,1-3H3
InChIKeyJTKOXSMVRIQUKP-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.86
Rot. Bonds1

About 1-cyclohexyl-3,4,6-trimethylpyrazolo[5,4-b]pyridine

1-cyclohexyl-3,4,6-trimethylpyrazolo[5,4-b]pyridine (PubChem CID 755047) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-cyclohexyl-3,4,6-trimethylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-cyclohexyl-3,4,6-trimethylpyrazolo[5,4-b]pyridine
PubChem CID755047
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-cyclohexyl-3,4,6-trimethylpyrazolo[5,4-b]pyridine
SMILESCc1cc(C)c2c(C)nn(C3CCCCC3)c2n1
InChIInChI=1S/C15H21N3/c1-10-9-11(2)16-15-14(10)12(3)17-18(15)13-7-5-4-6-8-13/h9,13H,4-8H2,1-3H3
InChIKeyJTKOXSMVRIQUKP-UHFFFAOYSA-N
XLogP3.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,4,6-trimethylpyrazolo[5,4-b]pyridine?
The IUPAC name of 1-cyclohexyl-3,4,6-trimethylpyrazolo[5,4-b]pyridine (CID 755047) is 1-cyclohexyl-3,4,6-trimethylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-cyclohexyl-3,4,6-trimethylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-cyclohexyl-3,4,6-trimethylpyrazolo[5,4-b]pyridine is Cc1cc(C)c2c(C)nn(C3CCCCC3)c2n1.
What is the InChIKey of 1-cyclohexyl-3,4,6-trimethylpyrazolo[5,4-b]pyridine?
The InChIKey is JTKOXSMVRIQUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-9-11(2)16-15-14(10)12(3)17-18(15)13-7-5-4-6-8-13/h9,13H,4-8H2,1-3H3.
What are the key properties of 1-cyclohexyl-3,4,6-trimethylpyrazolo[5,4-b]pyridine?
1-cyclohexyl-3,4,6-trimethylpyrazolo[5,4-b]pyridine has a molecular weight of 243.35 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,4,6-trimethylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 755047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).