5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile

C26H34N6O — CID 45485217

IUPAC5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(NCCCNC3CCCCC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C26H34N6O/c1-3-33-22-12-10-21(11-13-22)31-26-19(2)25(23(18-27)24-14-17-30-32(24)26)29-16-7-15-28-20-8-5-4-6-9-20/h10-14,17,20,28-29,31H,3-9,15-16H2,1-2H3
InChIKeyVYMSNEOWGOFYJM-UHFFFAOYSA-N
MW446.60 g/mol
LogP5.38
Rot. Bonds10

About 5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile

5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 45485217) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is 5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID45485217
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC Name5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(NCCCNC3CCCCC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C26H34N6O/c1-3-33-22-12-10-21(11-13-22)31-26-19(2)25(23(18-27)24-14-17-30-32(24)26)29-16-7-15-28-20-8-5-4-6-9-20/h10-14,17,20,28-29,31H,3-9,15-16H2,1-2H3
InChIKeyVYMSNEOWGOFYJM-UHFFFAOYSA-N
XLogP5.38
TPSA86.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile 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 5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile (CID 45485217) is 5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile is CCOc1ccc(Nc2c(C)c(NCCCNC3CCCCC3)c(C#N)c3ccnn23)cc1.
What is the InChIKey of 5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is VYMSNEOWGOFYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O/c1-3-33-22-12-10-21(11-13-22)31-26-19(2)25(23(18-27)24-14-17-30-32(24)26)29-16-7-15-28-20-8-5-4-6-9-20/h10-14,17,20,28-29,31H,3-9,15-16H2,1-2H3.
What are the key properties of 5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 446.60 g/mol, XLogP of 5.38, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 45485217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).