4-(2-deuteriopropan-2-yl)-5-fluoro-2-(5-fluoronaphtho[2,1-b][1]benzothiol-8-yl)pyridine

C24H17F2NS — CID 165170613

IUPAC4-(2-deuteriopropan-2-yl)-5-fluoro-2-(5-fluoronaphtho[2,1-b][1]benzothiol-8-yl)pyridine
SMILES[2H]C(C)(C)c1cc(-c2cccc3c2sc2cc(F)c4ccccc4c23)ncc1F
InChIInChI=1S/C24H17F2NS/c1-13(2)18-10-21(27-12-20(18)26)16-8-5-9-17-23-15-7-4-3-6-14(15)19(25)11-22(23)28-24(16)17/h3-13H,1-2H3/i13D
InChIKeyQWUMDUBLSQOTIB-YSOHJTORSA-N
MW390.48 g/mol
LogP7.67
Rot. Bonds2

About 4-(2-deuteriopropan-2-yl)-5-fluoro-2-(5-fluoronaphtho[2,1-b][1]benzothiol-8-yl)pyridine

4-(2-deuteriopropan-2-yl)-5-fluoro-2-(5-fluoronaphtho[2,1-b][1]benzothiol-8-yl)pyridine (PubChem CID 165170613) has the molecular formula C24H17F2NS and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-5-fluoro-2-(5-fluoronaphtho[2,1-b][1]benzothiol-8-yl)pyridine.

Molecular Properties

Compound Name4-(2-deuteriopropan-2-yl)-5-fluoro-2-(5-fluoronaphtho[2,1-b][1]benzothiol-8-yl)pyridine
PubChem CID165170613
Molecular FormulaC24H17F2NS
Molecular Weight390.48 g/mol
Exact Mass390.11
IUPAC Name4-(2-deuteriopropan-2-yl)-5-fluoro-2-(5-fluoronaphtho[2,1-b][1]benzothiol-8-yl)pyridine
SMILES[2H]C(C)(C)c1cc(-c2cccc3c2sc2cc(F)c4ccccc4c23)ncc1F
InChIInChI=1S/C24H17F2NS/c1-13(2)18-10-21(27-12-20(18)26)16-8-5-9-17-23-15-7-4-3-6-14(15)19(25)11-22(23)28-24(16)17/h3-13H,1-2H3/i13D
InChIKeyQWUMDUBLSQOTIB-YSOHJTORSA-N
XLogP7.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-deuteriopropan-2-yl)-5-fluoro-2-(5-fluoronaphtho[2,1-b][1]benzothiol-8-yl)pyridine with MolForge

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Related Compounds

5-methyl-2-(7-naphthalen-1-yldibenzothiophen-4-yl)-4-propan-2-ylpyridine
CID 166577945
4-(2-deuteriopropan-2-yl)-2-[4-(2-deuteriopropan-2-yl)naphtho[1,2-b][1]benzothiol-10-yl]pyridine
CID 165170907
4-(2-deuteriopropan-2-yl)-2-(3H-dibenzothiophen-3-id-4-yl)-5-fluoropyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 164712996
4-(2-deuteriopropan-2-yl)-2-[7-(1,1-dideuterioethyl)-8-propan-2-yldibenzothiophen-4-yl]pyridine
CID 165170846
4-(2-deuteriopropan-2-yl)-2-[7-(4-methylphenyl)dibenzothiophen-4-yl]pyridine
CID 165171093
4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[1,2-b][1]benzothiol-10-yl)pyridine
CID 165170798
4-(2-deuteriopropan-2-yl)-2-(3-fluoronaphtho[1,2-b][1]benzothiol-10-yl)pyridine
CID 165171153
[6-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]dibenzothiophen-4-yl]-trimethylgermane
CID 165170806
3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine
CID 162500388
[4-(2-deuteriopropan-2-yl)-6-(2-fluoro-3-methylphenyl)-3-pyridinyl]-trimethylsilane
CID 157326729
2-[6-(2-deuteriopropan-2-yl)-1-phenyldibenzothiophen-4-yl]-4-propan-2-ylpyridine
CID 166573694
[1-deuterio-1-[2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-4-pyridinyl]ethyl]-trimethylgermane
CID 165170727

Frequently Asked Questions

What is the IUPAC name of 4-(2-deuteriopropan-2-yl)-5-fluoro-2-(5-fluoronaphtho[2,1-b][1]benzothiol-8-yl)pyridine?
The IUPAC name of 4-(2-deuteriopropan-2-yl)-5-fluoro-2-(5-fluoronaphtho[2,1-b][1]benzothiol-8-yl)pyridine (CID 165170613) is 4-(2-deuteriopropan-2-yl)-5-fluoro-2-(5-fluoronaphtho[2,1-b][1]benzothiol-8-yl)pyridine.
What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-5-fluoro-2-(5-fluoronaphtho[2,1-b][1]benzothiol-8-yl)pyridine?
The canonical SMILES for 4-(2-deuteriopropan-2-yl)-5-fluoro-2-(5-fluoronaphtho[2,1-b][1]benzothiol-8-yl)pyridine is [2H]C(C)(C)c1cc(-c2cccc3c2sc2cc(F)c4ccccc4c23)ncc1F.
What is the InChIKey of 4-(2-deuteriopropan-2-yl)-5-fluoro-2-(5-fluoronaphtho[2,1-b][1]benzothiol-8-yl)pyridine?
The InChIKey is QWUMDUBLSQOTIB-YSOHJTORSA-N. The full InChI is InChI=1S/C24H17F2NS/c1-13(2)18-10-21(27-12-20(18)26)16-8-5-9-17-23-15-7-4-3-6-14(15)19(25)11-22(23)28-24(16)17/h3-13H,1-2H3/i13D.
What are the key properties of 4-(2-deuteriopropan-2-yl)-5-fluoro-2-(5-fluoronaphtho[2,1-b][1]benzothiol-8-yl)pyridine?
4-(2-deuteriopropan-2-yl)-5-fluoro-2-(5-fluoronaphtho[2,1-b][1]benzothiol-8-yl)pyridine has a molecular weight of 390.48 g/mol, XLogP of 7.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-deuteriopropan-2-yl)-5-fluoro-2-(5-fluoronaphtho[2,1-b][1]benzothiol-8-yl)pyridine is sourced from PubChem (CID 165170613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).