3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-methoxy-6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-8-(trifluoromethyl)quinoline

C94H104F5N3O9S — CID 160961000

IUPAC3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-methoxy-6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-8-(trifluoromethyl)quinoline
SMILESCC(C)c1cc(C(F)(F)F)c2ncccc2c1.CC(C)c1ccc(OC2CC2)c(-c2cccnc2)c1.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)OC(F)(F)O2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2occc2c1.COc1nc2ccc(C(C)C)cc2s1
InChIInChI=1S/C17H19NO.C13H12F3N.C11H13NOS.C11H14O.2C11H12O.C10H10F2O2.C10H12O2/c1-12(2)13-5-8-17(19-15-6-7-15)16(10-13)14-4-3-9-18-11-14;1-8(2)10-6-9-4-3-5-17-12(9)11(7-10)13(14,15)16;1-7(2)8-4-5-9-10(6-8)14-11(12-9)13-3;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-6(2)7-3-4-8-9(5-7)14-10(11,12)13-8;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3-5,8-12,15H,6-7H2,1-2H3;3-8H,1-2H3;4-7H,1-3H3;3-4,7-8H,5-6H2,1-2H3;2*3-8H,1-2H3;3-6H,1-2H3;3-5,7H,6H2,1-2H3
InChIKeySWZUWQBBAGMGFE-UHFFFAOYSA-N
MW1546.93 g/mol
LogP27.75
Rot. Bonds12

About 3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-methoxy-6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-8-(trifluoromethyl)quinoline

3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-methoxy-6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-8-(trifluoromethyl)quinoline (PubChem CID 160961000) has the molecular formula C94H104F5N3O9S and a molecular weight of 1546.93 g/mol. Its IUPAC name is 3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-methoxy-6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-methoxy-6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-8-(trifluoromethyl)quinoline
PubChem CID160961000
Molecular FormulaC94H104F5N3O9S
Molecular Weight1546.93 g/mol
Exact Mass1545.74
IUPAC Name3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-methoxy-6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-8-(trifluoromethyl)quinoline
SMILESCC(C)c1cc(C(F)(F)F)c2ncccc2c1.CC(C)c1ccc(OC2CC2)c(-c2cccnc2)c1.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)OC(F)(F)O2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2occc2c1.COc1nc2ccc(C(C)C)cc2s1
InChIInChI=1S/C17H19NO.C13H12F3N.C11H13NOS.C11H14O.2C11H12O.C10H10F2O2.C10H12O2/c1-12(2)13-5-8-17(19-15-6-7-15)16(10-13)14-4-3-9-18-11-14;1-8(2)10-6-9-4-3-5-17-12(9)11(7-10)13(14,15)16;1-7(2)8-4-5-9-10(6-8)14-11(12-9)13-3;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-6(2)7-3-4-8-9(5-7)14-10(11,12)13-8;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3-5,8-12,15H,6-7H2,1-2H3;3-8H,1-2H3;4-7H,1-3H3;3-4,7-8H,5-6H2,1-2H3;2*3-8H,1-2H3;3-6H,1-2H3;3-5,7H,6H2,1-2H3
InChIKeySWZUWQBBAGMGFE-UHFFFAOYSA-N
XLogP27.75
TPSA129.56 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001546.93
LogP ≤ 527.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-methoxy-6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-8-(trifluoromethyl)quinoline 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-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,1,3-benzoxadiazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene;ethane
CID 157860503
1-(1,1-difluoroethyl)-3-methylbenzene;1-ethoxy-4-methylbenzene;bis(1-ethyl-4-methylbenzene);5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-1H-indene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-2-phenylbenzene;1-methyl-4-phenylbenzene;(4-methylphenyl)-piperidin-1-ylmethanone;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propylbenzene;1-methyl-2-(trifluoromethyl)benzene;N,N,4-trimethylbenzamide;1,2-xylene;1,3-xylene;1,4-xylene
CID 159052082
4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-2,1,3-benzoxadiazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene;ethane;methane
CID 167593988
1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzoxazole;N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;N-(4-propan-2-ylphenyl)acetamide
CID 157252887
1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;pentakis(1-methyl-4-propan-2-ylbenzene);N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1,3-benzodioxole;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1-benzofuran;N-(4-propan-2-ylphenyl)acetamide
CID 158089327
1-Methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 160215154
4-tert-butyl-2H-benzimidazole;5-tert-butyl-2H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;2-tert-butylfuran;2-tert-butylpyridine;2-tert-butylselenophene;bis(2-tert-butylthiophene);ethane
CID 160284115
4-tert-butyl-2H-benzimidazole;5-tert-butyl-2H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;2-tert-butylfuran;2-tert-butylpyridine;2-tert-butylselenophene;2-tert-butylthiophene;ethane
CID 161422983

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-methoxy-6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-8-(trifluoromethyl)quinoline?
The IUPAC name of 3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-methoxy-6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-8-(trifluoromethyl)quinoline (CID 160961000) is 3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-methoxy-6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-methoxy-6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-8-(trifluoromethyl)quinoline?
The canonical SMILES for 3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-methoxy-6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-8-(trifluoromethyl)quinoline is CC(C)c1cc(C(F)(F)F)c2ncccc2c1.CC(C)c1ccc(OC2CC2)c(-c2cccnc2)c1.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)OC(F)(F)O2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2occc2c1.COc1nc2ccc(C(C)C)cc2s1.
What is the InChIKey of 3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-methoxy-6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-8-(trifluoromethyl)quinoline?
The InChIKey is SWZUWQBBAGMGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.C13H12F3N.C11H13NOS.C11H14O.2C11H12O.C10H10F2O2.C10H12O2/c1-12(2)13-5-8-17(19-15-6-7-15)16(10-13)14-4-3-9-18-11-14;1-8(2)10-6-9-4-3-5-17-12(9)11(7-10)13(14,15)16;1-7(2)8-4-5-9-10(6-8)14-11(12-9)13-3;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-6(2)7-3-4-8-9(5-7)14-10(11,12)13-8;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3-5,8-12,15H,6-7H2,1-2H3;3-8H,1-2H3;4-7H,1-3H3;3-4,7-8H,5-6H2,1-2H3;2*3-8H,1-2H3;3-6H,1-2H3;3-5,7H,6H2,1-2H3.
What are the key properties of 3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-methoxy-6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-8-(trifluoromethyl)quinoline?
3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-methoxy-6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-8-(trifluoromethyl)quinoline has a molecular weight of 1546.93 g/mol, XLogP of 27.75, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-methoxy-6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 160961000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).