7-(4-ethoxyanilino)-6-methyl-5-(2-pyrrolidin-2-ylethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile

C23H28N6O — CID 45485219

IUPAC7-(4-ethoxyanilino)-6-methyl-5-(2-pyrrolidin-2-ylethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(NCCC3CCCN3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C23H28N6O/c1-3-30-19-8-6-18(7-9-19)28-23-16(2)22(26-13-10-17-5-4-12-25-17)20(15-24)21-11-14-27-29(21)23/h6-9,11,14,17,25-26,28H,3-5,10,12-13H2,1-2H3
InChIKeyYBSDRGYJTXTCSD-UHFFFAOYSA-N
MW404.52 g/mol
LogP4.21
Rot. Bonds8

About 7-(4-ethoxyanilino)-6-methyl-5-(2-pyrrolidin-2-ylethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile

7-(4-ethoxyanilino)-6-methyl-5-(2-pyrrolidin-2-ylethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 45485219) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 7-(4-ethoxyanilino)-6-methyl-5-(2-pyrrolidin-2-ylethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name7-(4-ethoxyanilino)-6-methyl-5-(2-pyrrolidin-2-ylethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID45485219
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name7-(4-ethoxyanilino)-6-methyl-5-(2-pyrrolidin-2-ylethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(NCCC3CCCN3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C23H28N6O/c1-3-30-19-8-6-18(7-9-19)28-23-16(2)22(26-13-10-17-5-4-12-25-17)20(15-24)21-11-14-27-29(21)23/h6-9,11,14,17,25-26,28H,3-5,10,12-13H2,1-2H3
InChIKeyYBSDRGYJTXTCSD-UHFFFAOYSA-N
XLogP4.21
TPSA86.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 54.21
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-(2-pyrrolidin-2-ylethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 7-(4-ethoxyanilino)-6-methyl-5-(2-pyrrolidin-2-ylethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile (CID 45485219) is 7-(4-ethoxyanilino)-6-methyl-5-(2-pyrrolidin-2-ylethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 7-(4-ethoxyanilino)-6-methyl-5-(2-pyrrolidin-2-ylethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 7-(4-ethoxyanilino)-6-methyl-5-(2-pyrrolidin-2-ylethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile is CCOc1ccc(Nc2c(C)c(NCCC3CCCN3)c(C#N)c3ccnn23)cc1.
What is the InChIKey of 7-(4-ethoxyanilino)-6-methyl-5-(2-pyrrolidin-2-ylethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is YBSDRGYJTXTCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-3-30-19-8-6-18(7-9-19)28-23-16(2)22(26-13-10-17-5-4-12-25-17)20(15-24)21-11-14-27-29(21)23/h6-9,11,14,17,25-26,28H,3-5,10,12-13H2,1-2H3.
What are the key properties of 7-(4-ethoxyanilino)-6-methyl-5-(2-pyrrolidin-2-ylethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
7-(4-ethoxyanilino)-6-methyl-5-(2-pyrrolidin-2-ylethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 404.52 g/mol, XLogP of 4.21, 8 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-(2-pyrrolidin-2-ylethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 45485219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).