5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine

C16H19N5 — CID 44633908

IUPAC5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESCn1cc(-c2[nH]nc3ncc(C4CCCCC4)cc23)cn1
InChIInChI=1S/C16H19N5/c1-21-10-13(9-18-21)15-14-7-12(8-17-16(14)20-19-15)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,17,19,20)
InChIKeyRKYRUOWFAUYZLA-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.41
Rot. Bonds2

About 5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine

5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 44633908) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID44633908
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESCn1cc(-c2[nH]nc3ncc(C4CCCCC4)cc23)cn1
InChIInChI=1S/C16H19N5/c1-21-10-13(9-18-21)15-14-7-12(8-17-16(14)20-19-15)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,17,19,20)
InChIKeyRKYRUOWFAUYZLA-UHFFFAOYSA-N
XLogP3.41
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine (CID 44633908) is 5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine is Cn1cc(-c2[nH]nc3ncc(C4CCCCC4)cc23)cn1.
What is the InChIKey of 5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is RKYRUOWFAUYZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-21-10-13(9-18-21)15-14-7-12(8-17-16(14)20-19-15)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,17,19,20).
What are the key properties of 5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 281.36 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 44633908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).