7-(4-ethoxyanilino)-6-ethyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile

C23H28N6O — CID 45485186

IUPAC7-(4-ethoxyanilino)-6-ethyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(CC)c(N[C@@H]3CCCNC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C23H28N6O/c1-3-19-22(27-17-6-5-12-25-15-17)20(14-24)21-11-13-26-29(21)23(19)28-16-7-9-18(10-8-16)30-4-2/h7-11,13,17,25,27-28H,3-6,12,15H2,1-2H3/t17-/m1/s1
InChIKeyCZWKJOXXBLTOGT-QGZVFWFLSA-N
MW404.52 g/mol
LogP4.07
Rot. Bonds7

About 7-(4-ethoxyanilino)-6-ethyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile

7-(4-ethoxyanilino)-6-ethyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 45485186) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 7-(4-ethoxyanilino)-6-ethyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name7-(4-ethoxyanilino)-6-ethyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID45485186
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name7-(4-ethoxyanilino)-6-ethyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(CC)c(N[C@@H]3CCCNC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C23H28N6O/c1-3-19-22(27-17-6-5-12-25-15-17)20(14-24)21-11-13-26-29(21)23(19)28-16-7-9-18(10-8-16)30-4-2/h7-11,13,17,25,27-28H,3-6,12,15H2,1-2H3/t17-/m1/s1
InChIKeyCZWKJOXXBLTOGT-QGZVFWFLSA-N
XLogP4.07
TPSA86.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 54.07
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-ethyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 7-(4-ethoxyanilino)-6-ethyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile (CID 45485186) is 7-(4-ethoxyanilino)-6-ethyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 7-(4-ethoxyanilino)-6-ethyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 7-(4-ethoxyanilino)-6-ethyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile is CCOc1ccc(Nc2c(CC)c(N[C@@H]3CCCNC3)c(C#N)c3ccnn23)cc1.
What is the InChIKey of 7-(4-ethoxyanilino)-6-ethyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is CZWKJOXXBLTOGT-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28N6O/c1-3-19-22(27-17-6-5-12-25-15-17)20(14-24)21-11-13-26-29(21)23(19)28-16-7-9-18(10-8-16)30-4-2/h7-11,13,17,25,27-28H,3-6,12,15H2,1-2H3/t17-/m1/s1.
What are the key properties of 7-(4-ethoxyanilino)-6-ethyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
7-(4-ethoxyanilino)-6-ethyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 404.52 g/mol, XLogP of 4.07, 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-ethyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 45485186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).