3-(2,6-dimethylphenyl)-2-(2,6-dimethyl-3-pyridinyl)-6-(trideuteriomethyl)imidazo[4,5-c]pyridine

C22H22N4 — CID 176652032

IUPAC3-(2,6-dimethylphenyl)-2-(2,6-dimethyl-3-pyridinyl)-6-(trideuteriomethyl)imidazo[4,5-c]pyridine
SMILES[2H]C([2H])([2H])c1cc2nc(-c3ccc(C)nc3C)n(-c3c(C)cccc3C)c2cn1
InChIInChI=1S/C22H22N4/c1-13-7-6-8-14(2)21(13)26-20-12-23-16(4)11-19(20)25-22(26)18-10-9-15(3)24-17(18)5/h6-12H,1-5H3/i4D3
InChIKeyFJGKKTYODVBMSM-GKOSEXJESA-N
MW345.46 g/mol
LogP5.02
Rot. Bonds3

About 3-(2,6-dimethylphenyl)-2-(2,6-dimethyl-3-pyridinyl)-6-(trideuteriomethyl)imidazo[4,5-c]pyridine

3-(2,6-dimethylphenyl)-2-(2,6-dimethyl-3-pyridinyl)-6-(trideuteriomethyl)imidazo[4,5-c]pyridine (PubChem CID 176652032) has the molecular formula C22H22N4 and a molecular weight of 345.46 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-2-(2,6-dimethyl-3-pyridinyl)-6-(trideuteriomethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-2-(2,6-dimethyl-3-pyridinyl)-6-(trideuteriomethyl)imidazo[4,5-c]pyridine
PubChem CID176652032
Molecular FormulaC22H22N4
Molecular Weight345.46 g/mol
Exact Mass345.20
IUPAC Name3-(2,6-dimethylphenyl)-2-(2,6-dimethyl-3-pyridinyl)-6-(trideuteriomethyl)imidazo[4,5-c]pyridine
SMILES[2H]C([2H])([2H])c1cc2nc(-c3ccc(C)nc3C)n(-c3c(C)cccc3C)c2cn1
InChIInChI=1S/C22H22N4/c1-13-7-6-8-14(2)21(13)26-20-12-23-16(4)11-19(20)25-22(26)18-10-9-15(3)24-17(18)5/h6-12H,1-5H3/i4D3
InChIKeyFJGKKTYODVBMSM-GKOSEXJESA-N
XLogP5.02
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.46
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2,6-dimethylphenyl)-6-(6-methyl-3-pyridinyl)-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
CID 140756453
2-(2,6-dimethyl-3-pyridinyl)-4,5-bis(trideuteriomethyl)pyridine
CID 169300686
1-(2,6-dimethylphenyl)-2-phenyl-5-(trideuteriomethyl)benzimidazole;iridium
CID 59546951
2-(2,6-dimethylphenyl)-5-methyl-8-[6-methyl-3-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156667515
[2-(2,6-dimethyl-3-pyridinyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040719
7-(2,6-dimethylphenyl)-1,11-dimethyl-6-phenyl-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene;iridium
CID 140756565
1-(2-chloro-6-methylphenyl)indazole
CID 117063200
2-(2,4-difluoro-6-methylphenyl)-1-(2,6-dimethylphenyl)benzimidazole
CID 170293570
6-(2,6-dimethyl-3-pyridinyl)-8-methylimidazo[1,2-a]pyridine
CID 90178683
7-(2,6-dimethylphenyl)-6-phenyl-5,7-diazatetracyclo[9.3.2.02,10.04,8]hexadeca-2,4(8),5,9-tetraene;iridium
CID 140756461
9-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-1,3-bis(trideuteriomethyl)-[1]benzofuro[3,2-b][1,6]naphthyridine
CID 176823656
8-[4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-2,5-bis(trideuteriomethyl)-[1]benzothiolo[2,3-b]pyridine
CID 156668544

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-2-(2,6-dimethyl-3-pyridinyl)-6-(trideuteriomethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 3-(2,6-dimethylphenyl)-2-(2,6-dimethyl-3-pyridinyl)-6-(trideuteriomethyl)imidazo[4,5-c]pyridine (CID 176652032) is 3-(2,6-dimethylphenyl)-2-(2,6-dimethyl-3-pyridinyl)-6-(trideuteriomethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-2-(2,6-dimethyl-3-pyridinyl)-6-(trideuteriomethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 3-(2,6-dimethylphenyl)-2-(2,6-dimethyl-3-pyridinyl)-6-(trideuteriomethyl)imidazo[4,5-c]pyridine is [2H]C([2H])([2H])c1cc2nc(-c3ccc(C)nc3C)n(-c3c(C)cccc3C)c2cn1.
What is the InChIKey of 3-(2,6-dimethylphenyl)-2-(2,6-dimethyl-3-pyridinyl)-6-(trideuteriomethyl)imidazo[4,5-c]pyridine?
The InChIKey is FJGKKTYODVBMSM-GKOSEXJESA-N. The full InChI is InChI=1S/C22H22N4/c1-13-7-6-8-14(2)21(13)26-20-12-23-16(4)11-19(20)25-22(26)18-10-9-15(3)24-17(18)5/h6-12H,1-5H3/i4D3.
What are the key properties of 3-(2,6-dimethylphenyl)-2-(2,6-dimethyl-3-pyridinyl)-6-(trideuteriomethyl)imidazo[4,5-c]pyridine?
3-(2,6-dimethylphenyl)-2-(2,6-dimethyl-3-pyridinyl)-6-(trideuteriomethyl)imidazo[4,5-c]pyridine has a molecular weight of 345.46 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-2-(2,6-dimethyl-3-pyridinyl)-6-(trideuteriomethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 176652032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).