4-[cyclopentyl(dideuterio)methyl]-2-[3-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-10-yl]pyridine

C28H25NO — CID 162707187

IUPAC4-[cyclopentyl(dideuterio)methyl]-2-[3-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-10-yl]pyridine
SMILES[2H]C([2H])([2H])c1ccc2c(ccc3oc4ccc(-c5cc(C([2H])([2H])C6CCCC6)ccn5)cc4c32)c1
InChIInChI=1S/C28H25NO/c1-18-6-9-23-21(14-18)7-11-27-28(23)24-17-22(8-10-26(24)30-27)25-16-20(12-13-29-25)15-19-4-2-3-5-19/h6-14,16-17,19H,2-5,15H2,1H3/i1D3,15D2
InChIKeyVEPUTMCMHGQGIH-GJZIZAJSSA-N
MW396.54 g/mol
LogP7.84
Rot. Bonds4

About 4-[cyclopentyl(dideuterio)methyl]-2-[3-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-10-yl]pyridine

4-[cyclopentyl(dideuterio)methyl]-2-[3-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-10-yl]pyridine (PubChem CID 162707187) has the molecular formula C28H25NO and a molecular weight of 396.54 g/mol. Its IUPAC name is 4-[cyclopentyl(dideuterio)methyl]-2-[3-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-10-yl]pyridine.

Molecular Properties

Compound Name4-[cyclopentyl(dideuterio)methyl]-2-[3-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-10-yl]pyridine
PubChem CID162707187
Molecular FormulaC28H25NO
Molecular Weight396.54 g/mol
Exact Mass396.22
IUPAC Name4-[cyclopentyl(dideuterio)methyl]-2-[3-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-10-yl]pyridine
SMILES[2H]C([2H])([2H])c1ccc2c(ccc3oc4ccc(-c5cc(C([2H])([2H])C6CCCC6)ccn5)cc4c32)c1
InChIInChI=1S/C28H25NO/c1-18-6-9-23-21(14-18)7-11-27-28(23)24-17-22(8-10-26(24)30-27)25-16-20(12-13-29-25)15-19-4-2-3-5-19/h6-14,16-17,19H,2-5,15H2,1H3/i1D3,15D2
InChIKeyVEPUTMCMHGQGIH-GJZIZAJSSA-N
XLogP7.84
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.54
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[cyclopentyl(dideuterio)methyl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
CID 177279412
4-[cyclopentyl(dideuterio)methyl]-2-[7-(2,6-dimethylphenyl)dibenzofuran-2-yl]pyridine
CID 166575549
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-naphtho[2,1-b][1]benzofuran-10-ylpyridine
CID 162707526
4-[cyclopentyl(dideuterio)methyl]-2-[9-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 166576363
4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 155611017
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
4-[cyclopentyl(dideuterio)methyl]-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162709860
4-[cyclobutyl(dideuterio)methyl]-2-(8-methylnaphtho[2,3-b][1]benzothiol-4-yl)pyridine
CID 165170635
2-phenyl-6-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155611962
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-[cyclohexyl(dideuterio)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166577703
4-(2-cyclopentylpropan-2-yl)-2-(9-phenyldibenzofuran-2-yl)pyridine
CID 166574902

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(dideuterio)methyl]-2-[3-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-10-yl]pyridine?
The IUPAC name of 4-[cyclopentyl(dideuterio)methyl]-2-[3-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-10-yl]pyridine (CID 162707187) is 4-[cyclopentyl(dideuterio)methyl]-2-[3-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-10-yl]pyridine.
What is the SMILES notation for 4-[cyclopentyl(dideuterio)methyl]-2-[3-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-10-yl]pyridine?
The canonical SMILES for 4-[cyclopentyl(dideuterio)methyl]-2-[3-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-10-yl]pyridine is [2H]C([2H])([2H])c1ccc2c(ccc3oc4ccc(-c5cc(C([2H])([2H])C6CCCC6)ccn5)cc4c32)c1.
What is the InChIKey of 4-[cyclopentyl(dideuterio)methyl]-2-[3-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-10-yl]pyridine?
The InChIKey is VEPUTMCMHGQGIH-GJZIZAJSSA-N. The full InChI is InChI=1S/C28H25NO/c1-18-6-9-23-21(14-18)7-11-27-28(23)24-17-22(8-10-26(24)30-27)25-16-20(12-13-29-25)15-19-4-2-3-5-19/h6-14,16-17,19H,2-5,15H2,1H3/i1D3,15D2.
What are the key properties of 4-[cyclopentyl(dideuterio)methyl]-2-[3-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-10-yl]pyridine?
4-[cyclopentyl(dideuterio)methyl]-2-[3-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-10-yl]pyridine has a molecular weight of 396.54 g/mol, XLogP of 7.84, 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-[3-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-10-yl]pyridine is sourced from PubChem (CID 162707187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).