3-(3,4-dihydro-2H-chromen-4-yl)-1-[7-(1-fluorocyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridin-2-yl]propan-1-one

C28H32FNO2S — CID 155698121

IUPAC3-(3,4-dihydro-2H-chromen-4-yl)-1-[7-(1-fluorocyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridin-2-yl]propan-1-one
SMILESCC(C)c1c(C(=O)CCC2CCOc3ccccc32)sc2c(C3(F)CCCCC3)ccnc12
InChIInChI=1S/C28H32FNO2S/c1-18(2)24-25-26(21(12-16-30-25)28(29)14-6-3-7-15-28)33-27(24)22(31)11-10-19-13-17-32-23-9-5-4-8-20(19)23/h4-5,8-9,12,16,18-19H,3,6-7,10-11,13-15,17H2,1-2H3
InChIKeyJKTAIHSHIDYMOM-UHFFFAOYSA-N
MW465.63 g/mol
LogP8.08
Rot. Bonds6

About 3-(3,4-dihydro-2H-chromen-4-yl)-1-[7-(1-fluorocyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridin-2-yl]propan-1-one

3-(3,4-dihydro-2H-chromen-4-yl)-1-[7-(1-fluorocyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridin-2-yl]propan-1-one (PubChem CID 155698121) has the molecular formula C28H32FNO2S and a molecular weight of 465.63 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-4-yl)-1-[7-(1-fluorocyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridin-2-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-4-yl)-1-[7-(1-fluorocyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridin-2-yl]propan-1-one
PubChem CID155698121
Molecular FormulaC28H32FNO2S
Molecular Weight465.63 g/mol
Exact Mass465.21
IUPAC Name3-(3,4-dihydro-2H-chromen-4-yl)-1-[7-(1-fluorocyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridin-2-yl]propan-1-one
SMILESCC(C)c1c(C(=O)CCC2CCOc3ccccc32)sc2c(C3(F)CCCCC3)ccnc12
InChIInChI=1S/C28H32FNO2S/c1-18(2)24-25-26(21(12-16-30-25)28(29)14-6-3-7-15-28)33-27(24)22(31)11-10-19-13-17-32-23-9-5-4-8-20(19)23/h4-5,8-9,12,16,18-19H,3,6-7,10-11,13-15,17H2,1-2H3
InChIKeyJKTAIHSHIDYMOM-UHFFFAOYSA-N
XLogP8.08
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.63
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-dihydro-2H-chromen-4-yl)-1-[7-(1-fluorocyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridin-2-yl]propan-1-one with MolForge

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Related Compounds

7-(4-Fluorophenyl)-2-[(6-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
CID 155551226
7-(4-Fluorophenyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
CID 155564600
2-[4-[2-(2-Ethyl-1-benzofuran-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 102583652
2-(2,6-Difluorophenyl)-1-(9-pyridin-3-yl-4,5-dihydrothieno[3,2-d][1]benzoxepin-2-yl)ethanone
CID 58164792
Methyl 7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylate
CID 58172938
Methyl 7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylate
CID 58172940
7-[3-Fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid
CID 58172943
N-[dimethyl(oxo)-lambda6-sulfanylidene]-7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
CID 58172945
7-[4-[3-(2-Fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid
CID 58172947
N-[dimethyl(oxo)-lambda6-sulfanylidene]-7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
CID 58172948
6-[7-[4-(3-Cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde
CID 58207665
1-(2,4-Difluorophenyl)-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 58207742

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-4-yl)-1-[7-(1-fluorocyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridin-2-yl]propan-1-one?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-4-yl)-1-[7-(1-fluorocyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridin-2-yl]propan-1-one (CID 155698121) is 3-(3,4-dihydro-2H-chromen-4-yl)-1-[7-(1-fluorocyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridin-2-yl]propan-1-one.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-4-yl)-1-[7-(1-fluorocyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridin-2-yl]propan-1-one?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-4-yl)-1-[7-(1-fluorocyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridin-2-yl]propan-1-one is CC(C)c1c(C(=O)CCC2CCOc3ccccc32)sc2c(C3(F)CCCCC3)ccnc12.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-4-yl)-1-[7-(1-fluorocyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridin-2-yl]propan-1-one?
The InChIKey is JKTAIHSHIDYMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FNO2S/c1-18(2)24-25-26(21(12-16-30-25)28(29)14-6-3-7-15-28)33-27(24)22(31)11-10-19-13-17-32-23-9-5-4-8-20(19)23/h4-5,8-9,12,16,18-19H,3,6-7,10-11,13-15,17H2,1-2H3.
What are the key properties of 3-(3,4-dihydro-2H-chromen-4-yl)-1-[7-(1-fluorocyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridin-2-yl]propan-1-one?
3-(3,4-dihydro-2H-chromen-4-yl)-1-[7-(1-fluorocyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridin-2-yl]propan-1-one has a molecular weight of 465.63 g/mol, XLogP of 8.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-4-yl)-1-[7-(1-fluorocyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridin-2-yl]propan-1-one is sourced from PubChem (CID 155698121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).