4-[3-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-5-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]thiophen-2-yl]pyridine

C26H30FNO2S — CID 144600466

IUPAC4-[3-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-5-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]thiophen-2-yl]pyridine
SMILESCc1sc(-c2ccncc2)c(-c2cc(F)c3c(c2C)CCCO3)c1C(C)OC(C)(C)C
InChIInChI=1S/C26H30FNO2S/c1-15-19-8-7-13-29-24(19)21(27)14-20(15)23-22(16(2)30-26(4,5)6)17(3)31-25(23)18-9-11-28-12-10-18/h9-12,14,16H,7-8,13H2,1-6H3
InChIKeyAZEPHWSQTMFGPK-UHFFFAOYSA-N
MW439.60 g/mol
LogP7.43
Rot. Bonds4

About 4-[3-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-5-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]thiophen-2-yl]pyridine

4-[3-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-5-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]thiophen-2-yl]pyridine (PubChem CID 144600466) has the molecular formula C26H30FNO2S and a molecular weight of 439.60 g/mol. Its IUPAC name is 4-[3-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-5-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]thiophen-2-yl]pyridine.

Molecular Properties

Compound Name4-[3-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-5-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]thiophen-2-yl]pyridine
PubChem CID144600466
Molecular FormulaC26H30FNO2S
Molecular Weight439.60 g/mol
Exact Mass439.20
IUPAC Name4-[3-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-5-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]thiophen-2-yl]pyridine
SMILESCc1sc(-c2ccncc2)c(-c2cc(F)c3c(c2C)CCCO3)c1C(C)OC(C)(C)C
InChIInChI=1S/C26H30FNO2S/c1-15-19-8-7-13-29-24(19)21(27)14-20(15)23-22(16(2)30-26(4,5)6)17(3)31-25(23)18-9-11-28-12-10-18/h9-12,14,16H,7-8,13H2,1-6H3
InChIKeyAZEPHWSQTMFGPK-UHFFFAOYSA-N
XLogP7.43
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-5-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]thiophen-2-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-5-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]thiophen-2-yl]pyridine?
The IUPAC name of 4-[3-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-5-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]thiophen-2-yl]pyridine (CID 144600466) is 4-[3-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-5-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]thiophen-2-yl]pyridine.
What is the SMILES notation for 4-[3-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-5-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]thiophen-2-yl]pyridine?
The canonical SMILES for 4-[3-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-5-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]thiophen-2-yl]pyridine is Cc1sc(-c2ccncc2)c(-c2cc(F)c3c(c2C)CCCO3)c1C(C)OC(C)(C)C.
What is the InChIKey of 4-[3-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-5-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]thiophen-2-yl]pyridine?
The InChIKey is AZEPHWSQTMFGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FNO2S/c1-15-19-8-7-13-29-24(19)21(27)14-20(15)23-22(16(2)30-26(4,5)6)17(3)31-25(23)18-9-11-28-12-10-18/h9-12,14,16H,7-8,13H2,1-6H3.
What are the key properties of 4-[3-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-5-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]thiophen-2-yl]pyridine?
4-[3-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-5-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]thiophen-2-yl]pyridine has a molecular weight of 439.60 g/mol, XLogP of 7.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-5-methyl-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]thiophen-2-yl]pyridine is sourced from PubChem (CID 144600466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).