7-(4-ethoxyanilino)-6-(2-hydroxyethyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile

C23H28N6O2 — CID 45485182

IUPAC7-(4-ethoxyanilino)-6-(2-hydroxyethyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(CCO)c(N[C@@H]3CCCNC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C23H28N6O2/c1-2-31-18-7-5-16(6-8-18)28-23-19(10-13-30)22(27-17-4-3-11-25-15-17)20(14-24)21-9-12-26-29(21)23/h5-9,12,17,25,27-28,30H,2-4,10-11,13,15H2,1H3/t17-/m1/s1
InChIKeyDHIKVEZBBOIZGH-QGZVFWFLSA-N
MW420.52 g/mol
LogP3.05
Rot. Bonds8

About 7-(4-ethoxyanilino)-6-(2-hydroxyethyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile

7-(4-ethoxyanilino)-6-(2-hydroxyethyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 45485182) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 7-(4-ethoxyanilino)-6-(2-hydroxyethyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name7-(4-ethoxyanilino)-6-(2-hydroxyethyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID45485182
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name7-(4-ethoxyanilino)-6-(2-hydroxyethyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(CCO)c(N[C@@H]3CCCNC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C23H28N6O2/c1-2-31-18-7-5-16(6-8-18)28-23-19(10-13-30)22(27-17-4-3-11-25-15-17)20(14-24)21-9-12-26-29(21)23/h5-9,12,17,25,27-28,30H,2-4,10-11,13,15H2,1H3/t17-/m1/s1
InChIKeyDHIKVEZBBOIZGH-QGZVFWFLSA-N
XLogP3.05
TPSA106.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 11993960
CID 11993960
CID 11993962
CID 11993962
CID 11993963
CID 11993963
CID 11994091
CID 11994091
CID 11994092
CID 11994092
CID 45485161
CID 45485161
CID 45485162
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CID 45485163

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethoxyanilino)-6-(2-hydroxyethyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 7-(4-ethoxyanilino)-6-(2-hydroxyethyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile (CID 45485182) is 7-(4-ethoxyanilino)-6-(2-hydroxyethyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 7-(4-ethoxyanilino)-6-(2-hydroxyethyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 7-(4-ethoxyanilino)-6-(2-hydroxyethyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile is CCOc1ccc(Nc2c(CCO)c(N[C@@H]3CCCNC3)c(C#N)c3ccnn23)cc1.
What is the InChIKey of 7-(4-ethoxyanilino)-6-(2-hydroxyethyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is DHIKVEZBBOIZGH-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-2-31-18-7-5-16(6-8-18)28-23-19(10-13-30)22(27-17-4-3-11-25-15-17)20(14-24)21-9-12-26-29(21)23/h5-9,12,17,25,27-28,30H,2-4,10-11,13,15H2,1H3/t17-/m1/s1.
What are the key properties of 7-(4-ethoxyanilino)-6-(2-hydroxyethyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
7-(4-ethoxyanilino)-6-(2-hydroxyethyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 420.52 g/mol, XLogP of 3.05, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethoxyanilino)-6-(2-hydroxyethyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 45485182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).