7-(4-ethoxyanilino)-6-methyl-5-(1,2,3,4-tetrahydroisoquinolin-4-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile

C26H26N6O — CID 45485220

IUPAC7-(4-ethoxyanilino)-6-methyl-5-(1,2,3,4-tetrahydroisoquinolin-4-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(NC3CNCc4ccccc43)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C26H26N6O/c1-3-33-20-10-8-19(9-11-20)30-26-17(2)25(22(14-27)24-12-13-29-32(24)26)31-23-16-28-15-18-6-4-5-7-21(18)23/h4-13,23,28,30-31H,3,15-16H2,1-2H3
InChIKeyQZHBUQBDRZKXEB-UHFFFAOYSA-N
MW438.54 g/mol
LogP4.91
Rot. Bonds6

About 7-(4-ethoxyanilino)-6-methyl-5-(1,2,3,4-tetrahydroisoquinolin-4-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile

7-(4-ethoxyanilino)-6-methyl-5-(1,2,3,4-tetrahydroisoquinolin-4-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 45485220) has the molecular formula C26H26N6O and a molecular weight of 438.54 g/mol. Its IUPAC name is 7-(4-ethoxyanilino)-6-methyl-5-(1,2,3,4-tetrahydroisoquinolin-4-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name7-(4-ethoxyanilino)-6-methyl-5-(1,2,3,4-tetrahydroisoquinolin-4-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID45485220
Molecular FormulaC26H26N6O
Molecular Weight438.54 g/mol
Exact Mass438.22
IUPAC Name7-(4-ethoxyanilino)-6-methyl-5-(1,2,3,4-tetrahydroisoquinolin-4-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(NC3CNCc4ccccc43)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C26H26N6O/c1-3-33-20-10-8-19(9-11-20)30-26-17(2)25(22(14-27)24-12-13-29-32(24)26)31-23-16-28-15-18-6-4-5-7-21(18)23/h4-13,23,28,30-31H,3,15-16H2,1-2H3
InChIKeyQZHBUQBDRZKXEB-UHFFFAOYSA-N
XLogP4.91
TPSA86.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethoxyanilino)-6-methyl-5-(1,2,3,4-tetrahydroisoquinolin-4-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 7-(4-ethoxyanilino)-6-methyl-5-(1,2,3,4-tetrahydroisoquinolin-4-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile (CID 45485220) is 7-(4-ethoxyanilino)-6-methyl-5-(1,2,3,4-tetrahydroisoquinolin-4-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 7-(4-ethoxyanilino)-6-methyl-5-(1,2,3,4-tetrahydroisoquinolin-4-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 7-(4-ethoxyanilino)-6-methyl-5-(1,2,3,4-tetrahydroisoquinolin-4-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile is CCOc1ccc(Nc2c(C)c(NC3CNCc4ccccc43)c(C#N)c3ccnn23)cc1.
What is the InChIKey of 7-(4-ethoxyanilino)-6-methyl-5-(1,2,3,4-tetrahydroisoquinolin-4-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is QZHBUQBDRZKXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O/c1-3-33-20-10-8-19(9-11-20)30-26-17(2)25(22(14-27)24-12-13-29-32(24)26)31-23-16-28-15-18-6-4-5-7-21(18)23/h4-13,23,28,30-31H,3,15-16H2,1-2H3.
What are the key properties of 7-(4-ethoxyanilino)-6-methyl-5-(1,2,3,4-tetrahydroisoquinolin-4-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
7-(4-ethoxyanilino)-6-methyl-5-(1,2,3,4-tetrahydroisoquinolin-4-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 438.54 g/mol, XLogP of 4.91, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethoxyanilino)-6-methyl-5-(1,2,3,4-tetrahydroisoquinolin-4-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 45485220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).