3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;3-(1H-inden-5-yl)-2-propan-2-ylpyridine;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine

C173H191F5N14O10S2 — CID 160937097

IUPAC3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;3-(1H-inden-5-yl)-2-propan-2-ylpyridine;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine
SMILESCC(C)CS(=O)(=O)c1ccc(-c2cccnc2C(C)C)cc1.CC(C)c1ncccc1-c1ccc2c(c1)C=CC2.CC(C)c1ncccc1-c1cccc(C(=O)CC2CC2)c1.CC(C)c1ncccc1-c1cccc(OC(F)(F)F)c1.CC(C)c1ncccc1-c1cccc(S(C)(=O)=O)c1.CC(C)c1ncccc1C#CC1CC1.CNC(=O)c1cc(F)cc(-c2cccnc2C(C)C)c1.COC(=O)Nc1ccc(-c2cccnc2C(C)C)cc1.COc1ccc(-c2cccnc2C(C)C)cn1.Cc1cc(-c2cccnc2C(C)C)ccc1F.Cc1ccc(-c2cccnc2C(C)C)cc1
InChIInChI=1S/C19H21NO.C18H23NO2S.C17H17N.C16H17FN2O.C16H18N2O2.C15H14F3NO.C15H16FN.C15H17NO2S.C15H17N.C14H16N2O.C13H15N/c1-13(2)19-17(7-4-10-20-19)15-5-3-6-16(12-15)18(21)11-14-8-9-14;1-13(2)12-22(20,21)16-9-7-15(8-10-16)17-6-5-11-19-18(17)14(3)4;1-12(2)17-16(7-4-10-18-17)15-9-8-13-5-3-6-14(13)11-15;1-10(2)15-14(5-4-6-19-15)11-7-12(16(20)18-3)9-13(17)8-11;1-11(2)15-14(5-4-10-17-15)12-6-8-13(9-7-12)18-16(19)20-3;1-10(2)14-13(7-4-8-19-14)11-5-3-6-12(9-11)20-15(16,17)18;1-10(2)15-13(5-4-8-17-15)12-6-7-14(16)11(3)9-12;1-11(2)15-14(8-5-9-16-15)12-6-4-7-13(10-12)19(3,17)18;1-11(2)15-14(5-4-10-16-15)13-8-6-12(3)7-9-13;1-10(2)14-12(5-4-8-15-14)11-6-7-13(17-3)16-9-11;1-10(2)13-12(4-3-9-14-13)8-7-11-5-6-11/h3-7,10,12-14H,8-9,11H2,1-2H3;5-11,13-14H,12H2,1-4H3;3-4,6-12H,5H2,1-2H3;4-10H,1-3H3,(H,18,20);4-11H,1-3H3,(H,18,19);3-10H,1-2H3;4-10H,1-3H3;4-11H,1-3H3;4-11H,1-3H3;4-10H,1-3H3;3-4,9-11H,5-6H2,1-2H3
InChIKeySUACKCRYSULTQF-UHFFFAOYSA-N
MW2785.64 g/mol
LogP43.81
Rot. Bonds32

About 3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;3-(1H-inden-5-yl)-2-propan-2-ylpyridine;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine

3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;3-(1H-inden-5-yl)-2-propan-2-ylpyridine;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine (PubChem CID 160937097) has the molecular formula C173H191F5N14O10S2 and a molecular weight of 2785.64 g/mol. Its IUPAC name is 3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;3-(1H-inden-5-yl)-2-propan-2-ylpyridine;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;3-(1H-inden-5-yl)-2-propan-2-ylpyridine;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine
PubChem CID160937097
Molecular FormulaC173H191F5N14O10S2
Molecular Weight2785.64 g/mol
Exact Mass2783.42
IUPAC Name3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;3-(1H-inden-5-yl)-2-propan-2-ylpyridine;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine
SMILESCC(C)CS(=O)(=O)c1ccc(-c2cccnc2C(C)C)cc1.CC(C)c1ncccc1-c1ccc2c(c1)C=CC2.CC(C)c1ncccc1-c1cccc(C(=O)CC2CC2)c1.CC(C)c1ncccc1-c1cccc(OC(F)(F)F)c1.CC(C)c1ncccc1-c1cccc(S(C)(=O)=O)c1.CC(C)c1ncccc1C#CC1CC1.CNC(=O)c1cc(F)cc(-c2cccnc2C(C)C)c1.COC(=O)Nc1ccc(-c2cccnc2C(C)C)cc1.COc1ccc(-c2cccnc2C(C)C)cn1.Cc1cc(-c2cccnc2C(C)C)ccc1F.Cc1ccc(-c2cccnc2C(C)C)cc1
InChIInChI=1S/C19H21NO.C18H23NO2S.C17H17N.C16H17FN2O.C16H18N2O2.C15H14F3NO.C15H16FN.C15H17NO2S.C15H17N.C14H16N2O.C13H15N/c1-13(2)19-17(7-4-10-20-19)15-5-3-6-16(12-15)18(21)11-14-8-9-14;1-13(2)12-22(20,21)16-9-7-15(8-10-16)17-6-5-11-19-18(17)14(3)4;1-12(2)17-16(7-4-10-18-17)15-9-8-13-5-3-6-14(13)11-15;1-10(2)15-14(5-4-6-19-15)11-7-12(16(20)18-3)9-13(17)8-11;1-11(2)15-14(5-4-10-17-15)12-6-8-13(9-7-12)18-16(19)20-3;1-10(2)14-13(7-4-8-19-14)11-5-3-6-12(9-11)20-15(16,17)18;1-10(2)15-13(5-4-8-17-15)12-6-7-14(16)11(3)9-12;1-11(2)15-14(8-5-9-16-15)12-6-4-7-13(10-12)19(3,17)18;1-11(2)15-14(5-4-10-16-15)13-8-6-12(3)7-9-13;1-10(2)14-12(5-4-8-15-14)11-6-7-13(17-3)16-9-11;1-10(2)13-12(4-3-9-14-13)8-7-11-5-6-11/h3-7,10,12-14H,8-9,11H2,1-2H3;5-11,13-14H,12H2,1-4H3;3-4,6-12H,5H2,1-2H3;4-10H,1-3H3,(H,18,20);4-11H,1-3H3,(H,18,19);3-10H,1-2H3;4-10H,1-3H3;4-11H,1-3H3;4-11H,1-3H3;4-10H,1-3H3;3-4,9-11H,5-6H2,1-2H3
InChIKeySUACKCRYSULTQF-UHFFFAOYSA-N
XLogP43.81
TPSA325.92 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds32
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002785.64
LogP ≤ 543.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;3-(1H-inden-5-yl)-2-propan-2-ylpyridine;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine
CID 158277324
2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-[3-(1,1-difluoroethoxy)phenyl]-2-propan-2-ylpyridine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-piperidin-1-ylsulfonylphenyl)-2-propan-2-ylpyridine;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-thiophen-3-ylpyridine
CID 158622856
Cumene;(4,4-dimethylpiperazin-4-ium-1-yl)-(3-propan-2-ylphenyl)methanone;tetrakis(1-methyl-3-propan-2-ylbenzene);methyl 3-propan-2-ylbenzoate;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)ethanone);2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 160572865
3-[3-(1,1-difluoroethoxy)phenyl]-2-propan-2-ylpyridine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;1-methyl-6-(2-propan-2-yl-3-pyridinyl)indole;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-piperidin-1-ylsulfonylphenyl)-2-propan-2-ylpyridine;2-propan-2-yl-3-thiophen-3-ylpyridine
CID 162167646
N,N-dimethyl-3-(2-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(4-methoxy-2,6-dimethylphenyl)-2-propan-2-ylpyridine;3-(4-methoxy-2-methylphenyl)-2-propan-2-ylpyridine;3-(2-methylphenyl)-2-propan-2-ylpyridine;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one
CID 159461709
4-[6-[1-[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorobenzoyl]piperidin-4-yl]oxy-3-pyridinyl]-N,N-dimethylbenzamide;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[4-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorobenzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 167588462
N-ethyl-2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;bis(N-ethyl-2-fluoro-N-methyl-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]benzamide);N-methyl-N-[4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]propanamide
CID 167697694

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;3-(1H-inden-5-yl)-2-propan-2-ylpyridine;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;3-(1H-inden-5-yl)-2-propan-2-ylpyridine;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine (CID 160937097) is 3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;3-(1H-inden-5-yl)-2-propan-2-ylpyridine;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;3-(1H-inden-5-yl)-2-propan-2-ylpyridine;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;3-(1H-inden-5-yl)-2-propan-2-ylpyridine;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine is CC(C)CS(=O)(=O)c1ccc(-c2cccnc2C(C)C)cc1.CC(C)c1ncccc1-c1ccc2c(c1)C=CC2.CC(C)c1ncccc1-c1cccc(C(=O)CC2CC2)c1.CC(C)c1ncccc1-c1cccc(OC(F)(F)F)c1.CC(C)c1ncccc1-c1cccc(S(C)(=O)=O)c1.CC(C)c1ncccc1C#CC1CC1.CNC(=O)c1cc(F)cc(-c2cccnc2C(C)C)c1.COC(=O)Nc1ccc(-c2cccnc2C(C)C)cc1.COc1ccc(-c2cccnc2C(C)C)cn1.Cc1cc(-c2cccnc2C(C)C)ccc1F.Cc1ccc(-c2cccnc2C(C)C)cc1.
What is the InChIKey of 3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;3-(1H-inden-5-yl)-2-propan-2-ylpyridine;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is SUACKCRYSULTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO.C18H23NO2S.C17H17N.C16H17FN2O.C16H18N2O2.C15H14F3NO.C15H16FN.C15H17NO2S.C15H17N.C14H16N2O.C13H15N/c1-13(2)19-17(7-4-10-20-19)15-5-3-6-16(12-15)18(21)11-14-8-9-14;1-13(2)12-22(20,21)16-9-7-15(8-10-16)17-6-5-11-19-18(17)14(3)4;1-12(2)17-16(7-4-10-18-17)15-9-8-13-5-3-6-14(13)11-15;1-10(2)15-14(5-4-6-19-15)11-7-12(16(20)18-3)9-13(17)8-11;1-11(2)15-14(5-4-10-17-15)12-6-8-13(9-7-12)18-16(19)20-3;1-10(2)14-13(7-4-8-19-14)11-5-3-6-12(9-11)20-15(16,17)18;1-10(2)15-13(5-4-8-17-15)12-6-7-14(16)11(3)9-12;1-11(2)15-14(8-5-9-16-15)12-6-4-7-13(10-12)19(3,17)18;1-11(2)15-14(5-4-10-16-15)13-8-6-12(3)7-9-13;1-10(2)14-12(5-4-8-15-14)11-6-7-13(17-3)16-9-11;1-10(2)13-12(4-3-9-14-13)8-7-11-5-6-11/h3-7,10,12-14H,8-9,11H2,1-2H3;5-11,13-14H,12H2,1-4H3;3-4,6-12H,5H2,1-2H3;4-10H,1-3H3,(H,18,20);4-11H,1-3H3,(H,18,19);3-10H,1-2H3;4-10H,1-3H3;4-11H,1-3H3;4-11H,1-3H3;4-10H,1-3H3;3-4,9-11H,5-6H2,1-2H3.
What are the key properties of 3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;3-(1H-inden-5-yl)-2-propan-2-ylpyridine;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine?
3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;3-(1H-inden-5-yl)-2-propan-2-ylpyridine;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 2785.64 g/mol, XLogP of 43.81, 32 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;3-(1H-inden-5-yl)-2-propan-2-ylpyridine;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-[4-(2-methylpropylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 160937097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).