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

C23H30N6O — CID 45485212

IUPAC5-(6-aminohexylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(NCCCCCCN)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C23H30N6O/c1-3-30-19-10-8-18(9-11-19)28-23-17(2)22(26-14-7-5-4-6-13-24)20(16-25)21-12-15-27-29(21)23/h8-12,15,26,28H,3-7,13-14,24H2,1-2H3
InChIKeyZNGRPKAUYUHZSU-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.59
Rot. Bonds11

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

5-(6-aminohexylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 45485212) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 5-(6-aminohexylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-(6-aminohexylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID45485212
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name5-(6-aminohexylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(NCCCCCCN)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C23H30N6O/c1-3-30-19-10-8-18(9-11-19)28-23-17(2)22(26-14-7-5-4-6-13-24)20(16-25)21-12-15-27-29(21)23/h8-12,15,26,28H,3-7,13-14,24H2,1-2H3
InChIKeyZNGRPKAUYUHZSU-UHFFFAOYSA-N
XLogP4.59
TPSA100.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.59
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-(6-aminohexylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 5-(6-aminohexylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile (CID 45485212) is 5-(6-aminohexylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 5-(6-aminohexylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 5-(6-aminohexylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile is CCOc1ccc(Nc2c(C)c(NCCCCCCN)c(C#N)c3ccnn23)cc1.
What is the InChIKey of 5-(6-aminohexylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is ZNGRPKAUYUHZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-3-30-19-10-8-18(9-11-19)28-23-17(2)22(26-14-7-5-4-6-13-24)20(16-25)21-12-15-27-29(21)23/h8-12,15,26,28H,3-7,13-14,24H2,1-2H3.
What are the key properties of 5-(6-aminohexylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
5-(6-aminohexylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 406.53 g/mol, XLogP of 4.59, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-aminohexylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 45485212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).