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

C22H28N6O — CID 45485216

IUPAC5-(5-aminopentylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(NCCCCCN)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C22H28N6O/c1-3-29-18-9-7-17(8-10-18)27-22-16(2)21(25-13-6-4-5-12-23)19(15-24)20-11-14-26-28(20)22/h7-11,14,25,27H,3-6,12-13,23H2,1-2H3
InChIKeyZGYHTFQETABXAB-UHFFFAOYSA-N
MW392.51 g/mol
LogP4.20
Rot. Bonds10

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

5-(5-aminopentylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 45485216) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 5-(5-aminopentylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-(5-aminopentylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID45485216
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name5-(5-aminopentylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(NCCCCCN)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C22H28N6O/c1-3-29-18-9-7-17(8-10-18)27-22-16(2)21(25-13-6-4-5-12-23)19(15-24)20-11-14-26-28(20)22/h7-11,14,25,27H,3-6,12-13,23H2,1-2H3
InChIKeyZGYHTFQETABXAB-UHFFFAOYSA-N
XLogP4.20
TPSA100.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-aminopentylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 5-(5-aminopentylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile (CID 45485216) is 5-(5-aminopentylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 5-(5-aminopentylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 5-(5-aminopentylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile is CCOc1ccc(Nc2c(C)c(NCCCCCN)c(C#N)c3ccnn23)cc1.
What is the InChIKey of 5-(5-aminopentylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is ZGYHTFQETABXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-3-29-18-9-7-17(8-10-18)27-22-16(2)21(25-13-6-4-5-12-23)19(15-24)20-11-14-26-28(20)22/h7-11,14,25,27H,3-6,12-13,23H2,1-2H3.
What are the key properties of 5-(5-aminopentylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
5-(5-aminopentylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 392.51 g/mol, XLogP of 4.20, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-aminopentylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 45485216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).