3-(2,2-dimethylpropyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine

C17H26N4 — CID 117163017

IUPAC3-(2,2-dimethylpropyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
SMILESCN1CCCCC1c1nc2cccnc2n1CC(C)(C)C
InChIInChI=1S/C17H26N4/c1-17(2,3)12-21-15-13(8-7-10-18-15)19-16(21)14-9-5-6-11-20(14)4/h7-8,10,14H,5-6,9,11-12H2,1-4H3
InChIKeyWVPVYMVTQGARIL-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.63
Rot. Bonds2

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

3-(2,2-dimethylpropyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117163017) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
PubChem CID117163017
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name3-(2,2-dimethylpropyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
SMILESCN1CCCCC1c1nc2cccnc2n1CC(C)(C)C
InChIInChI=1S/C17H26N4/c1-17(2,3)12-21-15-13(8-7-10-18-15)19-16(21)14-9-5-6-11-20(14)4/h7-8,10,14H,5-6,9,11-12H2,1-4H3
InChIKeyWVPVYMVTQGARIL-UHFFFAOYSA-N
XLogP3.63
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyethyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117162749
2-(1-methylpyrrolidin-2-yl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 117162694
3-tert-butyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162586
2-(1-methylpiperidin-2-yl)-3-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162863
3-cyclopentyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162679
2-(1-methylpyrrolidin-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162437
2-(1-ethylpiperidin-2-yl)-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117162752
2-(1-methylpiperidin-2-yl)-3-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117162978
3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162257
3-cyclopropyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162666
2,3-bis(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162335
3-(5-methylfuran-2-yl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117162958

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(2,2-dimethylpropyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine (CID 117163017) is 3-(2,2-dimethylpropyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine is CN1CCCCC1c1nc2cccnc2n1CC(C)(C)C.
What is the InChIKey of 3-(2,2-dimethylpropyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is WVPVYMVTQGARIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-17(2,3)12-21-15-13(8-7-10-18-15)19-16(21)14-9-5-6-11-20(14)4/h7-8,10,14H,5-6,9,11-12H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine?
3-(2,2-dimethylpropyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 286.42 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117163017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).