1-cyclohexyl-4,6-diphenylpyrazolo[5,4-b]pyridin-3-amine

C24H24N4 — CID 59311768

IUPAC1-cyclohexyl-4,6-diphenylpyrazolo[5,4-b]pyridin-3-amine
SMILESNc1nn(C2CCCCC2)c2nc(-c3ccccc3)cc(-c3ccccc3)c12
InChIInChI=1S/C24H24N4/c25-23-22-20(17-10-4-1-5-11-17)16-21(18-12-6-2-7-13-18)26-24(22)28(27-23)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H2,25,27)
InChIKeyGERSXYIISMMUGC-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.85
Rot. Bonds3

About 1-cyclohexyl-4,6-diphenylpyrazolo[5,4-b]pyridin-3-amine

1-cyclohexyl-4,6-diphenylpyrazolo[5,4-b]pyridin-3-amine (PubChem CID 59311768) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-cyclohexyl-4,6-diphenylpyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound Name1-cyclohexyl-4,6-diphenylpyrazolo[5,4-b]pyridin-3-amine
PubChem CID59311768
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC Name1-cyclohexyl-4,6-diphenylpyrazolo[5,4-b]pyridin-3-amine
SMILESNc1nn(C2CCCCC2)c2nc(-c3ccccc3)cc(-c3ccccc3)c12
InChIInChI=1S/C24H24N4/c25-23-22-20(17-10-4-1-5-11-17)16-21(18-12-6-2-7-13-18)26-24(22)28(27-23)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H2,25,27)
InChIKeyGERSXYIISMMUGC-UHFFFAOYSA-N
XLogP5.85
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4,6-diphenylpyrazolo[5,4-b]pyridin-3-amine?
The IUPAC name of 1-cyclohexyl-4,6-diphenylpyrazolo[5,4-b]pyridin-3-amine (CID 59311768) is 1-cyclohexyl-4,6-diphenylpyrazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for 1-cyclohexyl-4,6-diphenylpyrazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for 1-cyclohexyl-4,6-diphenylpyrazolo[5,4-b]pyridin-3-amine is Nc1nn(C2CCCCC2)c2nc(-c3ccccc3)cc(-c3ccccc3)c12.
What is the InChIKey of 1-cyclohexyl-4,6-diphenylpyrazolo[5,4-b]pyridin-3-amine?
The InChIKey is GERSXYIISMMUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4/c25-23-22-20(17-10-4-1-5-11-17)16-21(18-12-6-2-7-13-18)26-24(22)28(27-23)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H2,25,27).
What are the key properties of 1-cyclohexyl-4,6-diphenylpyrazolo[5,4-b]pyridin-3-amine?
1-cyclohexyl-4,6-diphenylpyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 368.48 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4,6-diphenylpyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 59311768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).