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

C18H27N5 — CID 117160796

IUPAC3-(1-ethylpiperidin-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
SMILESCCN1CCCCC1n1c(C2CCNCC2)nc2cccnc21
InChIInChI=1S/C18H27N5/c1-2-22-13-4-3-7-16(22)23-17(14-8-11-19-12-9-14)21-15-6-5-10-20-18(15)23/h5-6,10,14,16,19H,2-4,7-9,11-13H2,1H3
InChIKeyGVZUHOCQYZZINS-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.90
Rot. Bonds3

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

3-(1-ethylpiperidin-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine (PubChem CID 117160796) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(1-ethylpiperidin-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
PubChem CID117160796
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name3-(1-ethylpiperidin-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
SMILESCCN1CCCCC1n1c(C2CCNCC2)nc2cccnc21
InChIInChI=1S/C18H27N5/c1-2-22-13-4-3-7-16(22)23-17(14-8-11-19-12-9-14)21-15-6-5-10-20-18(15)23/h5-6,10,14,16,19H,2-4,7-9,11-13H2,1H3
InChIKeyGVZUHOCQYZZINS-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethylpyrrolidin-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162855
3-(1-ethylpiperidin-4-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117160696
2-(1-ethylpiperidin-2-yl)-3-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162877
2-ethyl-3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117165731
2-tert-butyl-3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117166391
2-[3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159869
2-[(1-ethylpiperidin-2-yl)methyl]-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117163622
3-(1-methylpiperidin-2-yl)-2-piperidin-2-ylimidazo[4,5-b]pyridine
CID 117162893
2-ethyl-3-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117165751
3-cyclopentyl-2-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117163544
2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160680
2-(1-ethylpiperidin-2-yl)-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117162752

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(1-ethylpiperidin-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine (CID 117160796) is 3-(1-ethylpiperidin-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(1-ethylpiperidin-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(1-ethylpiperidin-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine is CCN1CCCCC1n1c(C2CCNCC2)nc2cccnc21.
What is the InChIKey of 3-(1-ethylpiperidin-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine?
The InChIKey is GVZUHOCQYZZINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-2-22-13-4-3-7-16(22)23-17(14-8-11-19-12-9-14)21-15-6-5-10-20-18(15)23/h5-6,10,14,16,19H,2-4,7-9,11-13H2,1H3.
What are the key properties of 3-(1-ethylpiperidin-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine?
3-(1-ethylpiperidin-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 313.45 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117160796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).