2-ethyl-5,7-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine

C17H26N4 — CID 142021136

IUPAC2-ethyl-5,7-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1CC1CCN(C)CC1
InChIInChI=1S/C17H26N4/c1-5-15-19-16-12(2)10-13(3)18-17(16)21(15)11-14-6-8-20(4)9-7-14/h10,14H,5-9,11H2,1-4H3
InChIKeyWNNNETROTPFCOK-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.95
Rot. Bonds3

About 2-ethyl-5,7-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine

2-ethyl-5,7-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine (PubChem CID 142021136) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-ethyl-5,7-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethyl-5,7-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
PubChem CID142021136
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-ethyl-5,7-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1CC1CCN(C)CC1
InChIInChI=1S/C17H26N4/c1-5-15-19-16-12(2)10-13(3)18-17(16)21(15)11-14-6-8-20(4)9-7-14/h10,14H,5-9,11H2,1-4H3
InChIKeyWNNNETROTPFCOK-UHFFFAOYSA-N
XLogP2.95
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dimethyl-1,2-oxazol-3-yl)-6-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1-sulfonamide
CID 170417153
2-ethyl-5,7-dimethyl-3-(pyrimidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 150784764
2-(1-chloroethyl)-7-methyl-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 79277491
3-[(5-bromopyrazin-2-yl)methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine
CID 138744418
N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]aniline
CID 23156160
4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-phenylaniline
CID 23156166
2-(chloromethyl)-7-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[4,5-b]pyridine
CID 114516342
4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-propylaniline
CID 19385717
5-(chloromethyl)-3-ethyl-1-methyl-6-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-d]pyrazole
CID 79281035
N-tert-butyl-6-[6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-methylazepan-3-yl]-2-methyloctane-3-sulfonamide
CID 175618569
2-ethyl-3-[[4-[3-(3-iodo-4-propan-2-ylpiperazin-1-yl)propyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine
CID 89133847
3-[[4-[(E)-4-(4-tert-butylpiperazin-1-yl)but-1-enyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine;dihydrochloride
CID 69003198

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,7-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-ethyl-5,7-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine (CID 142021136) is 2-ethyl-5,7-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-ethyl-5,7-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-ethyl-5,7-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine is CCc1nc2c(C)cc(C)nc2n1CC1CCN(C)CC1.
What is the InChIKey of 2-ethyl-5,7-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is WNNNETROTPFCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-5-15-19-16-12(2)10-13(3)18-17(16)21(15)11-14-6-8-20(4)9-7-14/h10,14H,5-9,11H2,1-4H3.
What are the key properties of 2-ethyl-5,7-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine?
2-ethyl-5,7-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 286.42 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,7-dimethyl-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 142021136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).