3-ethyl-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine

C13H19N5 — CID 63757473

IUPAC3-ethyl-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine
SMILESCCn1c(CN2CCNCC2)nc2cccnc21
InChIInChI=1S/C13H19N5/c1-2-18-12(10-17-8-6-14-7-9-17)16-11-4-3-5-15-13(11)18/h3-5,14H,2,6-10H2,1H3
InChIKeyCJQOTYTTZLHWPK-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.86
Rot. Bonds3

About 3-ethyl-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine

3-ethyl-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 63757473) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-ethyl-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-ethyl-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID63757473
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-ethyl-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine
SMILESCCn1c(CN2CCNCC2)nc2cccnc21
InChIInChI=1S/C13H19N5/c1-2-18-12(10-17-8-6-14-7-9-17)16-11-4-3-5-15-13(11)18/h3-5,14H,2,6-10H2,1H3
InChIKeyCJQOTYTTZLHWPK-UHFFFAOYSA-N
XLogP0.86
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,4-diazepan-1-ylmethyl)-3-(2-ethoxyethyl)imidazo[4,5-b]pyridine
CID 19911562
1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 62318122
3-(4-methylphenyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine
CID 53299080
2-butyl-3-ethylimidazo[4,5-b]pyridine
CID 150562237
3-ethyl-2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 117165475
2-phenyl-3-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine
CID 154002304
3-ethyl-2-methylimidazo[4,5-b]pyridine
CID 23298284
2-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethoxy]ethanamine
CID 112739245
2-[(4-methylpiperazin-1-yl)methyl]-3-(pyrazin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 19911489
2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]acetonitrile
CID 19911521
3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methylpropan-1-amine
CID 81073667
N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]cyclopropanamine
CID 63758859

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-ethyl-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine (CID 63757473) is 3-ethyl-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-ethyl-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-ethyl-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine is CCn1c(CN2CCNCC2)nc2cccnc21.
What is the InChIKey of 3-ethyl-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is CJQOTYTTZLHWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-2-18-12(10-17-8-6-14-7-9-17)16-11-4-3-5-15-13(11)18/h3-5,14H,2,6-10H2,1H3.
What are the key properties of 3-ethyl-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine?
3-ethyl-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 245.33 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 63757473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).