7-(4-ethoxyanilino)-6-phenyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile

C27H28N6O — CID 45485161

IUPAC7-(4-ethoxyanilino)-6-phenyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(-c3ccccc3)c(NC3CCCNC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C27H28N6O/c1-2-34-22-12-10-20(11-13-22)32-27-25(19-7-4-3-5-8-19)26(31-21-9-6-15-29-18-21)23(17-28)24-14-16-30-33(24)27/h3-5,7-8,10-14,16,21,29,31-32H,2,6,9,15,18H2,1H3
InChIKeyLJAKOJUGXNGRAJ-UHFFFAOYSA-N
MW452.56 g/mol
LogP5.18
Rot. Bonds7

About 7-(4-ethoxyanilino)-6-phenyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile

7-(4-ethoxyanilino)-6-phenyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 45485161) has the molecular formula C27H28N6O and a molecular weight of 452.56 g/mol. Its IUPAC name is 7-(4-ethoxyanilino)-6-phenyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name7-(4-ethoxyanilino)-6-phenyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID45485161
Molecular FormulaC27H28N6O
Molecular Weight452.56 g/mol
Exact Mass452.23
IUPAC Name7-(4-ethoxyanilino)-6-phenyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(-c3ccccc3)c(NC3CCCNC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C27H28N6O/c1-2-34-22-12-10-20(11-13-22)32-27-25(19-7-4-3-5-8-19)26(31-21-9-6-15-29-18-21)23(17-28)24-14-16-30-33(24)27/h3-5,7-8,10-14,16,21,29,31-32H,2,6,9,15,18H2,1H3
InChIKeyLJAKOJUGXNGRAJ-UHFFFAOYSA-N
XLogP5.18
TPSA86.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 55.18
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-phenyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 7-(4-ethoxyanilino)-6-phenyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile (CID 45485161) is 7-(4-ethoxyanilino)-6-phenyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 7-(4-ethoxyanilino)-6-phenyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 7-(4-ethoxyanilino)-6-phenyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile is CCOc1ccc(Nc2c(-c3ccccc3)c(NC3CCCNC3)c(C#N)c3ccnn23)cc1.
What is the InChIKey of 7-(4-ethoxyanilino)-6-phenyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is LJAKOJUGXNGRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O/c1-2-34-22-12-10-20(11-13-22)32-27-25(19-7-4-3-5-8-19)26(31-21-9-6-15-29-18-21)23(17-28)24-14-16-30-33(24)27/h3-5,7-8,10-14,16,21,29,31-32H,2,6,9,15,18H2,1H3.
What are the key properties of 7-(4-ethoxyanilino)-6-phenyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
7-(4-ethoxyanilino)-6-phenyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 452.56 g/mol, XLogP of 5.18, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethoxyanilino)-6-phenyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 45485161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).