1-cyclohexyl-8-[3,4,6-trideuterio-5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine

C23H22N2O — CID 154587641

IUPAC1-cyclohexyl-8-[3,4,6-trideuterio-5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine
SMILES[2H]c1nc(-c2cccc3c2oc2c(C4CCCCC4)nccc23)c([2H])c([2H])c1C([2H])([2H])[2H]
InChIInChI=1S/C23H22N2O/c1-15-10-11-20(25-14-15)19-9-5-8-17-18-12-13-24-21(23(18)26-22(17)19)16-6-3-2-4-7-16/h5,8-14,16H,2-4,6-7H2,1H3/i1D3,10D,11D,14D
InChIKeyGUJWCCMKJUUNQO-ZZRQILNASA-N
MW348.48 g/mol
LogP6.40
Rot. Bonds3

About 1-cyclohexyl-8-[3,4,6-trideuterio-5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine

1-cyclohexyl-8-[3,4,6-trideuterio-5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 154587641) has the molecular formula C23H22N2O and a molecular weight of 348.48 g/mol. Its IUPAC name is 1-cyclohexyl-8-[3,4,6-trideuterio-5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name1-cyclohexyl-8-[3,4,6-trideuterio-5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine
PubChem CID154587641
Molecular FormulaC23H22N2O
Molecular Weight348.48 g/mol
Exact Mass348.21
IUPAC Name1-cyclohexyl-8-[3,4,6-trideuterio-5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine
SMILES[2H]c1nc(-c2cccc3c2oc2c(C4CCCCC4)nccc23)c([2H])c([2H])c1C([2H])([2H])[2H]
InChIInChI=1S/C23H22N2O/c1-15-10-11-20(25-14-15)19-9-5-8-17-18-12-13-24-21(23(18)26-22(17)19)16-6-3-2-4-7-16/h5,8-14,16H,2-4,6-7H2,1H3/i1D3,10D,11D,14D
InChIKeyGUJWCCMKJUUNQO-ZZRQILNASA-N
XLogP6.40
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.48
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-8-[3,4,6-trideuterio-5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine with MolForge

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Related Compounds

2-cyclopentyl-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 140791495
3,4-dideuterio-2-dibenzofuran-4-yl-5-methylpyridine
CID 154588250
10-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-f]isoquinoline
CID 172522593
4-cyclohexyl-2-(6,8-diphenyldibenzofuran-4-yl)pyridine
CID 166573869
2-(1-cyclopentyldibenzothiophen-4-yl)-3,4-dideuterio-5-(trideuteriomethyl)pyridine
CID 162032399
8-(5-cyclopentylisoquinolin-1-yl)-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 169055491
2-cyclopentyl-8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 140791331
1-cycloundecylisoquinoline
CID 137392148
8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine
CID 90139251
3-(1-deuteriocyclohexyl)-1-phenyl-8-pyridin-2-yl-[1]benzofuro[2,3-c]pyridine
CID 176645972
2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine
CID 166573759
8-(1-cyclopentylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine
CID 140916393

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-8-[3,4,6-trideuterio-5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 1-cyclohexyl-8-[3,4,6-trideuterio-5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine (CID 154587641) is 1-cyclohexyl-8-[3,4,6-trideuterio-5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 1-cyclohexyl-8-[3,4,6-trideuterio-5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 1-cyclohexyl-8-[3,4,6-trideuterio-5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine is [2H]c1nc(-c2cccc3c2oc2c(C4CCCCC4)nccc23)c([2H])c([2H])c1C([2H])([2H])[2H].
What is the InChIKey of 1-cyclohexyl-8-[3,4,6-trideuterio-5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine?
The InChIKey is GUJWCCMKJUUNQO-ZZRQILNASA-N. The full InChI is InChI=1S/C23H22N2O/c1-15-10-11-20(25-14-15)19-9-5-8-17-18-12-13-24-21(23(18)26-22(17)19)16-6-3-2-4-7-16/h5,8-14,16H,2-4,6-7H2,1H3/i1D3,10D,11D,14D.
What are the key properties of 1-cyclohexyl-8-[3,4,6-trideuterio-5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine?
1-cyclohexyl-8-[3,4,6-trideuterio-5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 348.48 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-8-[3,4,6-trideuterio-5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 154587641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).