4-[6-(4-amino-4-benzylpiperidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

C27H28N6O — CID 134435309

IUPAC4-[6-(4-amino-4-benzylpiperidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CCC(N)(Cc4ccccc4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H28N6O/c1-2-34-23-14-24(26-22(16-28)18-31-33(26)19-23)21-8-9-25(30-17-21)32-12-10-27(29,11-13-32)15-20-6-4-3-5-7-20/h3-9,14,17-19H,2,10-13,15,29H2,1H3
InChIKeyNMOZULLYYUHCIV-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.21
Rot. Bonds6

About 4-[6-(4-amino-4-benzylpiperidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-(4-amino-4-benzylpiperidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435309) has the molecular formula C27H28N6O and a molecular weight of 452.56 g/mol. Its IUPAC name is 4-[6-(4-amino-4-benzylpiperidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-(4-amino-4-benzylpiperidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134435309
Molecular FormulaC27H28N6O
Molecular Weight452.56 g/mol
Exact Mass452.23
IUPAC Name4-[6-(4-amino-4-benzylpiperidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CCC(N)(Cc4ccccc4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H28N6O/c1-2-34-23-14-24(26-22(16-28)18-31-33(26)19-23)21-8-9-25(30-17-21)32-12-10-27(29,11-13-32)15-20-6-4-3-5-7-20/h3-9,14,17-19H,2,10-13,15,29H2,1H3
InChIKeyNMOZULLYYUHCIV-UHFFFAOYSA-N
XLogP4.21
TPSA92.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-amino-4-benzylpiperidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-(4-amino-4-benzylpiperidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435309) is 4-[6-(4-amino-4-benzylpiperidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-(4-amino-4-benzylpiperidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-(4-amino-4-benzylpiperidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CCC(N)(Cc4ccccc4)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-(4-amino-4-benzylpiperidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is NMOZULLYYUHCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O/c1-2-34-23-14-24(26-22(16-28)18-31-33(26)19-23)21-8-9-25(30-17-21)32-12-10-27(29,11-13-32)15-20-6-4-3-5-7-20/h3-9,14,17-19H,2,10-13,15,29H2,1H3.
What are the key properties of 4-[6-(4-amino-4-benzylpiperidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-(4-amino-4-benzylpiperidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 452.56 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-amino-4-benzylpiperidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).