3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-b]pyridine

C13H19N5 — CID 117166301

IUPAC3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-b]pyridine
SMILESCN1CCN(CCn2cnc3cccnc32)CC1
InChIInChI=1S/C13H19N5/c1-16-5-7-17(8-6-16)9-10-18-11-15-12-3-2-4-14-13(12)18/h2-4,11H,5-10H2,1H3
InChIKeyCEHZEGOLZPZNHY-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.68
Rot. Bonds3

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

3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-b]pyridine (PubChem CID 117166301) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-b]pyridine
PubChem CID117166301
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-b]pyridine
SMILESCN1CCN(CCn2cnc3cccnc32)CC1
InChIInChI=1S/C13H19N5/c1-16-5-7-17(8-6-16)9-10-18-11-15-12-3-2-4-14-13(12)18/h2-4,11H,5-10H2,1H3
InChIKeyCEHZEGOLZPZNHY-UHFFFAOYSA-N
XLogP0.68
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 20727882
4-imidazo[4,5-b]pyridin-3-yl-N,2-dimethylbutan-1-amine
CID 23521406
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine
CID 11219398
3-benzylimidazo[4,5-b]pyridine
CID 11009167
5-chloro-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 24903989
6-iodo-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 69074163
3-[[(2R)-oxiran-2-yl]methyl]imidazo[4,5-b]pyridine
CID 97180386
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine
CID 114598691
2-[(4-methylpiperazin-1-yl)methyl]-3-(pyrazin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 19911489
3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117166193
1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 71302088
2-[(4-methylpiperazin-1-yl)methyl]-3-(2-prop-2-ynoxyethyl)imidazo[4,5-b]pyridine
CID 19911550

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-b]pyridine (CID 117166301) is 3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-b]pyridine is CN1CCN(CCn2cnc3cccnc32)CC1.
What is the InChIKey of 3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-b]pyridine?
The InChIKey is CEHZEGOLZPZNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-16-5-7-17(8-6-16)9-10-18-11-15-12-3-2-4-14-13(12)18/h2-4,11H,5-10H2,1H3.
What are the key properties of 3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-b]pyridine?
3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-b]pyridine has a molecular weight of 245.33 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 117166301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).