4-[6-(4-benzyl-4-ethylpiperidin-1-yl)-3-pyridinyl]-6-propylpyrazolo[1,5-a]pyridine-3-carbonitrile

C30H33N5 — CID 134435810

IUPAC4-[6-(4-benzyl-4-ethylpiperidin-1-yl)-3-pyridinyl]-6-propylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCCc1cc(-c2ccc(N3CCC(CC)(Cc4ccccc4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C30H33N5/c1-3-8-24-17-27(29-26(19-31)21-33-35(29)22-24)25-11-12-28(32-20-25)34-15-13-30(4-2,14-16-34)18-23-9-6-5-7-10-23/h5-7,9-12,17,20-22H,3-4,8,13-16,18H2,1-2H3
InChIKeyTZVCNMKZLKGLFN-UHFFFAOYSA-N
MW463.63 g/mol
LogP6.46
Rot. Bonds7

About 4-[6-(4-benzyl-4-ethylpiperidin-1-yl)-3-pyridinyl]-6-propylpyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-(4-benzyl-4-ethylpiperidin-1-yl)-3-pyridinyl]-6-propylpyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435810) has the molecular formula C30H33N5 and a molecular weight of 463.63 g/mol. Its IUPAC name is 4-[6-(4-benzyl-4-ethylpiperidin-1-yl)-3-pyridinyl]-6-propylpyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-(4-benzyl-4-ethylpiperidin-1-yl)-3-pyridinyl]-6-propylpyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134435810
Molecular FormulaC30H33N5
Molecular Weight463.63 g/mol
Exact Mass463.27
IUPAC Name4-[6-(4-benzyl-4-ethylpiperidin-1-yl)-3-pyridinyl]-6-propylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCCc1cc(-c2ccc(N3CCC(CC)(Cc4ccccc4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C30H33N5/c1-3-8-24-17-27(29-26(19-31)21-33-35(29)22-24)25-11-12-28(32-20-25)34-15-13-30(4-2,14-16-34)18-23-9-6-5-7-10-23/h5-7,9-12,17,20-22H,3-4,8,13-16,18H2,1-2H3
InChIKeyTZVCNMKZLKGLFN-UHFFFAOYSA-N
XLogP6.46
TPSA57.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.63
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[6-(4-benzyl-4-ethylpiperidin-1-yl)-3-pyridinyl]-6-propylpyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Related Compounds

N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]formamide
CID 142326985
N-[1-[5-(3-cyano-6-propoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide
CID 165374205
6-ethoxy-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435526
N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]benzenesulfonamide
CID 134435425
4-[6-[4-[2-(3-cyano-2-pyridinyl)-2-oxoethyl]-4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 147012489
4-[6-(4-amino-4-methylpiperidin-1-yl)-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435583
4-[6-[4-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435682
6-ethoxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-6-[2-(trifluoromethoxy)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436794
4-[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740279
6-(2-hydroxy-2-methylpropoxy)-4-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436242
6-ethoxy-4-[6-[4-[2-(3-methylimidazol-4-yl)-2-oxoethyl]-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 148688131

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-benzyl-4-ethylpiperidin-1-yl)-3-pyridinyl]-6-propylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-(4-benzyl-4-ethylpiperidin-1-yl)-3-pyridinyl]-6-propylpyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435810) is 4-[6-(4-benzyl-4-ethylpiperidin-1-yl)-3-pyridinyl]-6-propylpyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-(4-benzyl-4-ethylpiperidin-1-yl)-3-pyridinyl]-6-propylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-(4-benzyl-4-ethylpiperidin-1-yl)-3-pyridinyl]-6-propylpyrazolo[1,5-a]pyridine-3-carbonitrile is CCCc1cc(-c2ccc(N3CCC(CC)(Cc4ccccc4)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-(4-benzyl-4-ethylpiperidin-1-yl)-3-pyridinyl]-6-propylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is TZVCNMKZLKGLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5/c1-3-8-24-17-27(29-26(19-31)21-33-35(29)22-24)25-11-12-28(32-20-25)34-15-13-30(4-2,14-16-34)18-23-9-6-5-7-10-23/h5-7,9-12,17,20-22H,3-4,8,13-16,18H2,1-2H3.
What are the key properties of 4-[6-(4-benzyl-4-ethylpiperidin-1-yl)-3-pyridinyl]-6-propylpyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-(4-benzyl-4-ethylpiperidin-1-yl)-3-pyridinyl]-6-propylpyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 463.63 g/mol, XLogP of 6.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-benzyl-4-ethylpiperidin-1-yl)-3-pyridinyl]-6-propylpyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).