6-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine

C12H17N3 — CID 166010059

IUPAC6-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine
SMILESCn1cnc2cc(CC(C)(C)C)cnc21
InChIInChI=1S/C12H17N3/c1-12(2,3)6-9-5-10-11(13-7-9)15(4)8-14-10/h5,7-8H,6H2,1-4H3
InChIKeyMJLYCGVGZMVQEP-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.56
Rot. Bonds1

About 6-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine

6-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine (PubChem CID 166010059) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 6-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine
PubChem CID166010059
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name6-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine
SMILESCn1cnc2cc(CC(C)(C)C)cnc21
InChIInChI=1S/C12H17N3/c1-12(2,3)6-9-5-10-11(13-7-9)15(4)8-14-10/h5,7-8H,6H2,1-4H3
InChIKeyMJLYCGVGZMVQEP-UHFFFAOYSA-N
XLogP2.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylimidazo[4,5-b]pyridin-6-yl)ethanamine
CID 83874573
6-(dimethoxymethyl)-3-methylimidazo[4,5-b]pyridine
CID 46737968
2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)propanenitrile
CID 116927691
3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-1-amine
CID 116925164
(3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)methanamine
CID 84662755
(1-methylbenzimidazol-5-yl)methanethiol
CID 83529810
3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176501294
2-methyl-2-[2-(1-methylbenzimidazol-5-yl)ethylamino]propanenitrile
CID 115129612
methane;(1-methylbenzimidazol-5-yl)methanamine
CID 159204423
5-(2,2-dimethylpropyl)-3-fluoro-N,N-dimethylpyridin-2-amine
CID 59139835
3-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]imidazo[4,5-b]pyridine
CID 74890228
N-(cyanomethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 138042785

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine?
The IUPAC name of 6-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine (CID 166010059) is 6-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 6-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 6-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine is Cn1cnc2cc(CC(C)(C)C)cnc21.
What is the InChIKey of 6-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine?
The InChIKey is MJLYCGVGZMVQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-12(2,3)6-9-5-10-11(13-7-9)15(4)8-14-10/h5,7-8H,6H2,1-4H3.
What are the key properties of 6-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine?
6-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine has a molecular weight of 203.29 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 166010059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).