3-(2,2-dimethylpropyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine

C17H26N4 — CID 117161648

IUPAC3-(2,2-dimethylpropyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
SMILESCC(C)(C)Cn1c(CC2CCNCC2)nc2cccnc21
InChIInChI=1S/C17H26N4/c1-17(2,3)12-21-15(11-13-6-9-18-10-7-13)20-14-5-4-8-19-16(14)21/h4-5,8,13,18H,6-7,9-12H2,1-3H3
InChIKeyYUTPPEKRDVIFKI-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.02
Rot. Bonds3

About 3-(2,2-dimethylpropyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine

3-(2,2-dimethylpropyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117161648) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117161648
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name3-(2,2-dimethylpropyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
SMILESCC(C)(C)Cn1c(CC2CCNCC2)nc2cccnc21
InChIInChI=1S/C17H26N4/c1-17(2,3)12-21-15(11-13-6-9-18-10-7-13)20-14-5-4-8-19-16(14)21/h4-5,8,13,18H,6-7,9-12H2,1-3H3
InChIKeyYUTPPEKRDVIFKI-UHFFFAOYSA-N
XLogP3.02
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxan-4-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161542
3-(oxolan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161594
3-(piperidin-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161603
2-(oxolan-2-ylmethyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117163243
2-(pyrrolidin-3-ylmethyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161141
3-(furan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine;oxalic acid
CID 159440701
2-(2-methoxyethyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117159839
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161227
3-(oxan-4-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161522
3-(3-methylphenyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161687
2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117165834
2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163234

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(2,2-dimethylpropyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine (CID 117161648) is 3-(2,2-dimethylpropyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine is CC(C)(C)Cn1c(CC2CCNCC2)nc2cccnc21.
What is the InChIKey of 3-(2,2-dimethylpropyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is YUTPPEKRDVIFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-17(2,3)12-21-15(11-13-6-9-18-10-7-13)20-14-5-4-8-19-16(14)21/h4-5,8,13,18H,6-7,9-12H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
3-(2,2-dimethylpropyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 286.42 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).