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

C25H32N6O — CID 45485167

IUPAC7-(4-ethoxyanilino)-6-(2-methylpropyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(CC(C)C)c(N[C@@H]3CCCNC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C25H32N6O/c1-4-32-20-9-7-18(8-10-20)30-25-21(14-17(2)3)24(29-19-6-5-12-27-16-19)22(15-26)23-11-13-28-31(23)25/h7-11,13,17,19,27,29-30H,4-6,12,14,16H2,1-3H3/t19-/m1/s1
InChIKeyNJIZCDLWQQFMAL-LJQANCHMSA-N
MW432.57 g/mol
LogP4.71
Rot. Bonds8

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

7-(4-ethoxyanilino)-6-(2-methylpropyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 45485167) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 7-(4-ethoxyanilino)-6-(2-methylpropyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name7-(4-ethoxyanilino)-6-(2-methylpropyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID45485167
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name7-(4-ethoxyanilino)-6-(2-methylpropyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(CC(C)C)c(N[C@@H]3CCCNC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C25H32N6O/c1-4-32-20-9-7-18(8-10-20)30-25-21(14-17(2)3)24(29-19-6-5-12-27-16-19)22(15-26)23-11-13-28-31(23)25/h7-11,13,17,19,27,29-30H,4-6,12,14,16H2,1-3H3/t19-/m1/s1
InChIKeyNJIZCDLWQQFMAL-LJQANCHMSA-N
XLogP4.71
TPSA86.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.71
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-(2-methylpropyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 7-(4-ethoxyanilino)-6-(2-methylpropyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile (CID 45485167) is 7-(4-ethoxyanilino)-6-(2-methylpropyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 7-(4-ethoxyanilino)-6-(2-methylpropyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 7-(4-ethoxyanilino)-6-(2-methylpropyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile is CCOc1ccc(Nc2c(CC(C)C)c(N[C@@H]3CCCNC3)c(C#N)c3ccnn23)cc1.
What is the InChIKey of 7-(4-ethoxyanilino)-6-(2-methylpropyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is NJIZCDLWQQFMAL-LJQANCHMSA-N. The full InChI is InChI=1S/C25H32N6O/c1-4-32-20-9-7-18(8-10-20)30-25-21(14-17(2)3)24(29-19-6-5-12-27-16-19)22(15-26)23-11-13-28-31(23)25/h7-11,13,17,19,27,29-30H,4-6,12,14,16H2,1-3H3/t19-/m1/s1.
What are the key properties of 7-(4-ethoxyanilino)-6-(2-methylpropyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
7-(4-ethoxyanilino)-6-(2-methylpropyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 432.57 g/mol, XLogP of 4.71, 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-(2-methylpropyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 45485167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).