4-[cyclopentyl(dideuterio)methyl]-2-[7-(2,6-dimethylphenyl)dibenzofuran-2-yl]pyridine

C31H29NO — CID 166575549

IUPAC4-[cyclopentyl(dideuterio)methyl]-2-[7-(2,6-dimethylphenyl)dibenzofuran-2-yl]pyridine
SMILES[2H]C([2H])(c1ccnc(-c2ccc3oc4cc(-c5c(C)cccc5C)ccc4c3c2)c1)C1CCCC1
InChIInChI=1S/C31H29NO/c1-20-6-5-7-21(2)31(20)25-10-12-26-27-18-24(11-13-29(27)33-30(26)19-25)28-17-23(14-15-32-28)16-22-8-3-4-9-22/h5-7,10-15,17-19,22H,3-4,8-9,16H2,1-2H3/i16D2
InChIKeyOUOOAUZIDLPTJL-BPPAMHLBSA-N
MW433.59 g/mol
LogP8.66
Rot. Bonds4

About 4-[cyclopentyl(dideuterio)methyl]-2-[7-(2,6-dimethylphenyl)dibenzofuran-2-yl]pyridine

4-[cyclopentyl(dideuterio)methyl]-2-[7-(2,6-dimethylphenyl)dibenzofuran-2-yl]pyridine (PubChem CID 166575549) has the molecular formula C31H29NO and a molecular weight of 433.59 g/mol. Its IUPAC name is 4-[cyclopentyl(dideuterio)methyl]-2-[7-(2,6-dimethylphenyl)dibenzofuran-2-yl]pyridine.

Molecular Properties

Compound Name4-[cyclopentyl(dideuterio)methyl]-2-[7-(2,6-dimethylphenyl)dibenzofuran-2-yl]pyridine
PubChem CID166575549
Molecular FormulaC31H29NO
Molecular Weight433.59 g/mol
Exact Mass433.24
IUPAC Name4-[cyclopentyl(dideuterio)methyl]-2-[7-(2,6-dimethylphenyl)dibenzofuran-2-yl]pyridine
SMILES[2H]C([2H])(c1ccnc(-c2ccc3oc4cc(-c5c(C)cccc5C)ccc4c3c2)c1)C1CCCC1
InChIInChI=1S/C31H29NO/c1-20-6-5-7-21(2)31(20)25-10-12-26-27-18-24(11-13-29(27)33-30(26)19-25)28-17-23(14-15-32-28)16-22-8-3-4-9-22/h5-7,10-15,17-19,22H,3-4,8-9,16H2,1-2H3/i16D2
InChIKeyOUOOAUZIDLPTJL-BPPAMHLBSA-N
XLogP8.66
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.59
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[cyclopentyl(dideuterio)methyl]-2-[7-(2,6-dimethylphenyl)dibenzofuran-2-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[cyclopentyl(dideuterio)methyl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
CID 177279412
4-[cyclopentyl(dideuterio)methyl]-2-[3-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-10-yl]pyridine
CID 162707187
4-[cyclopentyl(dideuterio)methyl]-2-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;[6-[4-(1-deuteriocyclohexyl)benzene-6-id-1-yl]-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
CID 166576817
4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 155611017
19-[4-(cyclopentylmethyl)-2-pyridinyl]-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene
CID 164803230
4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 166578236
4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine
CID 166574332
4-[cyclopentyl(dideuterio)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine
CID 162710449
2-[6-(2,6-dimethylphenyl)dibenzofuran-3-yl]-4-(2-methylpropyl)pyridine
CID 166573874
4-(cyclopentylmethyl)-2-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166575064
[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-2-yl]-4-propan-2-ylpyridine;iridium
CID 169039046
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9-phenyldibenzofuran-3-yl)pyridine
CID 166573930

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(dideuterio)methyl]-2-[7-(2,6-dimethylphenyl)dibenzofuran-2-yl]pyridine?
The IUPAC name of 4-[cyclopentyl(dideuterio)methyl]-2-[7-(2,6-dimethylphenyl)dibenzofuran-2-yl]pyridine (CID 166575549) is 4-[cyclopentyl(dideuterio)methyl]-2-[7-(2,6-dimethylphenyl)dibenzofuran-2-yl]pyridine.
What is the SMILES notation for 4-[cyclopentyl(dideuterio)methyl]-2-[7-(2,6-dimethylphenyl)dibenzofuran-2-yl]pyridine?
The canonical SMILES for 4-[cyclopentyl(dideuterio)methyl]-2-[7-(2,6-dimethylphenyl)dibenzofuran-2-yl]pyridine is [2H]C([2H])(c1ccnc(-c2ccc3oc4cc(-c5c(C)cccc5C)ccc4c3c2)c1)C1CCCC1.
What is the InChIKey of 4-[cyclopentyl(dideuterio)methyl]-2-[7-(2,6-dimethylphenyl)dibenzofuran-2-yl]pyridine?
The InChIKey is OUOOAUZIDLPTJL-BPPAMHLBSA-N. The full InChI is InChI=1S/C31H29NO/c1-20-6-5-7-21(2)31(20)25-10-12-26-27-18-24(11-13-29(27)33-30(26)19-25)28-17-23(14-15-32-28)16-22-8-3-4-9-22/h5-7,10-15,17-19,22H,3-4,8-9,16H2,1-2H3/i16D2.
What are the key properties of 4-[cyclopentyl(dideuterio)methyl]-2-[7-(2,6-dimethylphenyl)dibenzofuran-2-yl]pyridine?
4-[cyclopentyl(dideuterio)methyl]-2-[7-(2,6-dimethylphenyl)dibenzofuran-2-yl]pyridine has a molecular weight of 433.59 g/mol, XLogP of 8.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(dideuterio)methyl]-2-[7-(2,6-dimethylphenyl)dibenzofuran-2-yl]pyridine is sourced from PubChem (CID 166575549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).