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

C20H24N6O — CID 45485207

IUPAC5-(3-aminopropylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(NCCCN)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C20H24N6O/c1-3-27-16-7-5-15(6-8-16)25-20-14(2)19(23-11-4-10-21)17(13-22)18-9-12-24-26(18)20/h5-9,12,23,25H,3-4,10-11,21H2,1-2H3
InChIKeySBFZESJTMWGVBW-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.42
Rot. Bonds8

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

5-(3-aminopropylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 45485207) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-(3-aminopropylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-(3-aminopropylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID45485207
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name5-(3-aminopropylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(NCCCN)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C20H24N6O/c1-3-27-16-7-5-15(6-8-16)25-20-14(2)19(23-11-4-10-21)17(13-22)18-9-12-24-26(18)20/h5-9,12,23,25H,3-4,10-11,21H2,1-2H3
InChIKeySBFZESJTMWGVBW-UHFFFAOYSA-N
XLogP3.42
TPSA100.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.42
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-(3-aminopropylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 5-(3-aminopropylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile (CID 45485207) is 5-(3-aminopropylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 5-(3-aminopropylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 5-(3-aminopropylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile is CCOc1ccc(Nc2c(C)c(NCCCN)c(C#N)c3ccnn23)cc1.
What is the InChIKey of 5-(3-aminopropylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is SBFZESJTMWGVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-3-27-16-7-5-15(6-8-16)25-20-14(2)19(23-11-4-10-21)17(13-22)18-9-12-24-26(18)20/h5-9,12,23,25H,3-4,10-11,21H2,1-2H3.
What are the key properties of 5-(3-aminopropylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
5-(3-aminopropylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 364.45 g/mol, XLogP of 3.42, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 45485207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).