8-(3-methylimidazo[4,5-c]pyridin-2-yl)-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine

C20H16N4O — CID 156669970

IUPAC8-(3-methylimidazo[4,5-c]pyridin-2-yl)-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3nc4ccncc4n3C)ccc(C([2H])([2H])[2H])c12
InChIInChI=1S/C20H16N4O/c1-11-4-6-14(19-23-15-8-9-21-10-16(15)24(19)3)18-17(11)13-7-5-12(2)22-20(13)25-18/h4-10H,1-3H3/i1D3,2D3
InChIKeyMRWLABIWEMZOJI-WFGJKAKNSA-N
MW334.41 g/mol
LogP4.55
Rot. Bonds3

About 8-(3-methylimidazo[4,5-c]pyridin-2-yl)-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine

8-(3-methylimidazo[4,5-c]pyridin-2-yl)-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 156669970) has the molecular formula C20H16N4O and a molecular weight of 334.41 g/mol. Its IUPAC name is 8-(3-methylimidazo[4,5-c]pyridin-2-yl)-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-(3-methylimidazo[4,5-c]pyridin-2-yl)-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
PubChem CID156669970
Molecular FormulaC20H16N4O
Molecular Weight334.41 g/mol
Exact Mass334.17
IUPAC Name8-(3-methylimidazo[4,5-c]pyridin-2-yl)-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3nc4ccncc4n3C)ccc(C([2H])([2H])[2H])c12
InChIInChI=1S/C20H16N4O/c1-11-4-6-14(19-23-15-8-9-21-10-16(15)24(19)3)18-17(11)13-7-5-12(2)22-20(13)25-18/h4-10H,1-3H3/i1D3,2D3
InChIKeyMRWLABIWEMZOJI-WFGJKAKNSA-N
XLogP4.55
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine
CID 156658601
8-pyridin-2-yl-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 122419767
8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 155610719
3-(2-tert-butyl-4-phenyl-6-propan-2-ylphenyl)-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine
CID 166498993
2-(2-fluorophenyl)-3-methylimidazo[4,5-c]pyridine
CID 70925257
2-(1,7-dimethyldibenzofuran-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine
CID 156657144
8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 156671586
2,5-dimethyl-8-[4-methyl-3-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 166498770
8-[4-[1-(2-bicyclo[2.2.2]octanyl)-1-deuterioethyl]-2-pyridinyl]-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 171436078
2-phenyl-5-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155610894
8-(1-benzylbenzimidazol-2-yl)-2-tert-butyl-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 156669050
8-(1-benzylbenzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 156669661

Frequently Asked Questions

What is the IUPAC name of 8-(3-methylimidazo[4,5-c]pyridin-2-yl)-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-(3-methylimidazo[4,5-c]pyridin-2-yl)-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine (CID 156669970) is 8-(3-methylimidazo[4,5-c]pyridin-2-yl)-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-(3-methylimidazo[4,5-c]pyridin-2-yl)-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-(3-methylimidazo[4,5-c]pyridin-2-yl)-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine is [2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3nc4ccncc4n3C)ccc(C([2H])([2H])[2H])c12.
What is the InChIKey of 8-(3-methylimidazo[4,5-c]pyridin-2-yl)-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is MRWLABIWEMZOJI-WFGJKAKNSA-N. The full InChI is InChI=1S/C20H16N4O/c1-11-4-6-14(19-23-15-8-9-21-10-16(15)24(19)3)18-17(11)13-7-5-12(2)22-20(13)25-18/h4-10H,1-3H3/i1D3,2D3.
What are the key properties of 8-(3-methylimidazo[4,5-c]pyridin-2-yl)-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine?
8-(3-methylimidazo[4,5-c]pyridin-2-yl)-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 334.41 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylimidazo[4,5-c]pyridin-2-yl)-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156669970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).