3-(1-ethylpiperidin-4-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine

C18H27N5 — CID 117160696

IUPAC3-(1-ethylpiperidin-4-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
SMILESCCN1CCC(n2c(C3CCNCC3)nc3cccnc32)CC1
InChIInChI=1S/C18H27N5/c1-2-22-12-7-15(8-13-22)23-17(14-5-10-19-11-6-14)21-16-4-3-9-20-18(16)23/h3-4,9,14-15,19H,2,5-8,10-13H2,1H3
InChIKeySVJJRDXFTXDFEF-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.56
Rot. Bonds3

About 3-(1-ethylpiperidin-4-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine

3-(1-ethylpiperidin-4-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine (PubChem CID 117160696) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
PubChem CID117160696
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name3-(1-ethylpiperidin-4-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
SMILESCCN1CCC(n2c(C3CCNCC3)nc3cccnc32)CC1
InChIInChI=1S/C18H27N5/c1-2-22-12-7-15(8-13-22)23-17(14-5-10-19-11-6-14)21-16-4-3-9-20-18(16)23/h3-4,9,14-15,19H,2,5-8,10-13H2,1H3
InChIKeySVJJRDXFTXDFEF-UHFFFAOYSA-N
XLogP2.56
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethylpiperidin-4-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162220
3-(1-ethylpiperidin-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117160796
2-(1-ethylpiperidin-3-yl)-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117161788
3-(1-ethylpyrrolidin-3-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161767
2-(1-ethylpiperidin-4-yl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117160918
3-(1-ethylpiperidin-4-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117164679
2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160680
3-piperidin-4-yl-2-(1-propan-2-ylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162235
2-cyclobutyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42473072
3-cyclopropyl-2-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117160990
3-(5-methylthiophen-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117160861
3-(1-ethylpiperidin-3-yl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162305

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine (CID 117160696) is 3-(1-ethylpiperidin-4-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine is CCN1CCC(n2c(C3CCNCC3)nc3cccnc32)CC1.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine?
The InChIKey is SVJJRDXFTXDFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-2-22-12-7-15(8-13-22)23-17(14-5-10-19-11-6-14)21-16-4-3-9-20-18(16)23/h3-4,9,14-15,19H,2,5-8,10-13H2,1H3.
What are the key properties of 3-(1-ethylpiperidin-4-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine?
3-(1-ethylpiperidin-4-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 313.45 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117160696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).