5-(2-aminoethylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile

C19H22N6O — CID 45485206

IUPAC5-(2-aminoethylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(NCCN)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C19H22N6O/c1-3-26-15-6-4-14(5-7-15)24-19-13(2)18(22-11-9-20)16(12-21)17-8-10-23-25(17)19/h4-8,10,22,24H,3,9,11,20H2,1-2H3
InChIKeyKZJBZCQFUZLBIA-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.03
Rot. Bonds7

About 5-(2-aminoethylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile

5-(2-aminoethylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 45485206) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-(2-aminoethylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID45485206
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name5-(2-aminoethylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(NCCN)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C19H22N6O/c1-3-26-15-6-4-14(5-7-15)24-19-13(2)18(22-11-9-20)16(12-21)17-8-10-23-25(17)19/h4-8,10,22,24H,3,9,11,20H2,1-2H3
InChIKeyKZJBZCQFUZLBIA-UHFFFAOYSA-N
XLogP3.03
TPSA100.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 5-(2-aminoethylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile (CID 45485206) is 5-(2-aminoethylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 5-(2-aminoethylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 5-(2-aminoethylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile is CCOc1ccc(Nc2c(C)c(NCCN)c(C#N)c3ccnn23)cc1.
What is the InChIKey of 5-(2-aminoethylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is KZJBZCQFUZLBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-3-26-15-6-4-14(5-7-15)24-19-13(2)18(22-11-9-20)16(12-21)17-8-10-23-25(17)19/h4-8,10,22,24H,3,9,11,20H2,1-2H3.
What are the key properties of 5-(2-aminoethylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
5-(2-aminoethylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 350.43 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 45485206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).