2-(4-chlorophenyl)-3-propan-2-ylpyrazine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;methane;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

C165H176ClF3N22O6S — CID 157204112

IUPAC2-(4-chlorophenyl)-3-propan-2-ylpyrazine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;methane;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESC.C=C1C=Cc2ccc(-c3cccnc3C(C)C)cc2N1.CC(=O)Nc1cc(-c2cccnc2C(C)C)ccc1F.CC(C)c1ccccn1.CC(C)c1ncccc1-c1ccc2c(c1)=NCN=2.CC(C)c1ncccc1-c1ccc2c(c1)CN(C)C2=O.CC(C)c1ncccc1-c1ccc2cc[nH]c(=O)c2c1.CC(C)c1ncccc1-c1cccc2c1CC(=O)N2C.CC(C)c1ncccc1-c1cnc2c(c1)CCCN2.CC(C)c1nccnc1-c1ccc(Cl)cc1.Cc1cc(-c2cccnc2C(C)C)ccc1F.Cc1ncccc1-c1ccc(F)c(S(N)(=O)=O)c1
InChIInChI=1S/C18H18N2.2C17H18N2O.C17H16N2O.C16H17FN2O.C16H19N3.C15H16FN.C15H15N3.C13H13ClN2.C12H11FN2O2S.C8H11N.CH4/c1-12(2)18-16(5-4-10-19-18)15-9-8-14-7-6-13(3)20-17(14)11-15;1-11(2)17-13(7-5-9-18-17)12-6-4-8-15-14(12)10-16(20)19(15)3;1-11(2)16-14(5-4-8-18-16)12-6-7-15-13(9-12)10-19(3)17(15)20;1-11(2)16-14(4-3-8-18-16)13-6-5-12-7-9-19-17(20)15(12)10-13;1-10(2)16-13(5-4-8-18-16)12-6-7-14(17)15(9-12)19-11(3)20;1-11(2)15-14(6-4-7-17-15)13-9-12-5-3-8-18-16(12)19-10-13;1-10(2)15-13(5-4-8-17-15)12-6-7-14(16)11(3)9-12;1-10(2)15-12(4-3-7-16-15)11-5-6-13-14(8-11)18-9-17-13;1-9(2)12-13(16-8-7-15-12)10-3-5-11(14)6-4-10;1-8-10(3-2-6-15-8)9-4-5-11(13)12(7-9)18(14,16)17;1-7(2)8-5-3-4-6-9-8;/h4-12,20H,3H2,1-2H3;2*4-9,11H,10H2,1-3H3;3-11H,1-2H3,(H,19,20);4-10H,1-3H3,(H,19,20);4,6-7,9-11H,3,5,8H2,1-2H3,(H,18,19);4-10H,1-3H3;3-8,10H,9H2,1-2H3;3-9H,1-2H3;2-7H,1H3,(H2,14,16,17);3-7H,1-2H3;1H4
InChIKeyARDKILHXGXCQAR-UHFFFAOYSA-N
MW2687.88 g/mol
LogP37.99
Rot. Bonds22

About 2-(4-chlorophenyl)-3-propan-2-ylpyrazine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;methane;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

2-(4-chlorophenyl)-3-propan-2-ylpyrazine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;methane;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 157204112) has the molecular formula C165H176ClF3N22O6S and a molecular weight of 2687.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-propan-2-ylpyrazine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;methane;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-propan-2-ylpyrazine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;methane;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID157204112
Molecular FormulaC165H176ClF3N22O6S
Molecular Weight2687.88 g/mol
Exact Mass2685.35
IUPAC Name2-(4-chlorophenyl)-3-propan-2-ylpyrazine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;methane;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESC.C=C1C=Cc2ccc(-c3cccnc3C(C)C)cc2N1.CC(=O)Nc1cc(-c2cccnc2C(C)C)ccc1F.CC(C)c1ccccn1.CC(C)c1ncccc1-c1ccc2c(c1)=NCN=2.CC(C)c1ncccc1-c1ccc2c(c1)CN(C)C2=O.CC(C)c1ncccc1-c1ccc2cc[nH]c(=O)c2c1.CC(C)c1ncccc1-c1cccc2c1CC(=O)N2C.CC(C)c1ncccc1-c1cnc2c(c1)CCCN2.CC(C)c1nccnc1-c1ccc(Cl)cc1.Cc1cc(-c2cccnc2C(C)C)ccc1F.Cc1ncccc1-c1ccc(F)c(S(N)(=O)=O)c1
InChIInChI=1S/C18H18N2.2C17H18N2O.C17H16N2O.C16H17FN2O.C16H19N3.C15H16FN.C15H15N3.C13H13ClN2.C12H11FN2O2S.C8H11N.CH4/c1-12(2)18-16(5-4-10-19-18)15-9-8-14-7-6-13(3)20-17(14)11-15;1-11(2)17-13(7-5-9-18-17)12-6-4-8-15-14(12)10-16(20)19(15)3;1-11(2)16-14(5-4-8-18-16)12-6-7-15-13(9-12)10-19(3)17(15)20;1-11(2)16-14(4-3-8-18-16)13-6-5-12-7-9-19-17(20)15(12)10-13;1-10(2)16-13(5-4-8-18-16)12-6-7-14(17)15(9-12)19-11(3)20;1-11(2)15-14(6-4-7-17-15)13-9-12-5-3-8-18-16(12)19-10-13;1-10(2)15-13(5-4-8-17-15)12-6-7-14(16)11(3)9-12;1-10(2)15-12(4-3-7-16-15)11-5-6-13-14(8-11)18-9-17-13;1-9(2)12-13(16-8-7-15-12)10-3-5-11(14)6-4-10;1-8-10(3-2-6-15-8)9-4-5-11(13)12(7-9)18(14,16)17;1-7(2)8-5-3-4-6-9-8;/h4-12,20H,3H2,1-2H3;2*4-9,11H,10H2,1-3H3;3-11H,1-2H3,(H,19,20);4-10H,1-3H3,(H,19,20);4,6-7,9-11H,3,5,8H2,1-2H3,(H,18,19);4-10H,1-3H3;3-8,10H,9H2,1-2H3;3-9H,1-2H3;2-7H,1H3,(H2,14,16,17);3-7H,1-2H3;1H4
InChIKeyARDKILHXGXCQAR-UHFFFAOYSA-N
XLogP37.99
TPSA379.09 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002687.88
LogP ≤ 537.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze 2-(4-chlorophenyl)-3-propan-2-ylpyrazine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;methane;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine with MolForge

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Launch Full Analysis

Related Compounds

3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6,7,8,9-tetrahydro-5H-fluorene-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
CID 123862178
N-(benzenesulfonyl)-2-[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoxalin-6-yl]-1-cyclohexylbenzimidazole-5-carboxamide
CID 140071043
2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 161229289
4-chloro-N-(6-chloro-1,3-dioxoisoindol-5-yl)-3-isoquinolin-1-ylbenzenesulfonamide;3-chloro-4-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfonylamino]-N,N-dimethylbenzamide;4-chloro-N-(6-chloro-4-methyl-3-pyridinyl)-3-(2-ethenylbenzenecarboximidoyl)benzenesulfonamide;3-chloro-4-[(4-chlorophenyl)sulfonylamino]-N-methylbenzamide;4-chloro-3-isoquinolin-1-yl-N-(4-methyl-6-piperazin-1-yl-3-pyridinyl)benzenesulfonamide;isoquinoline
CID 161789030
4-chloro-N-(6-chloro-1,3-dioxoisoindol-5-yl)-3-isoquinolin-1-ylbenzenesulfonamide;3-chloro-4-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfonylamino]-N,N-dimethylbenzamide;3-chloro-4-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfonylamino]-N-methylbenzamide;4-chloro-N-(6-chloro-4-methyl-3-pyridinyl)-3-isoquinolin-1-ylbenzenesulfonamide;4-chloro-3-isoquinolin-1-yl-N-(4-methyl-6-piperazin-1-yl-3-pyridinyl)benzenesulfonamide
CID 161856132
6-Chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-oxo-1,3-dihydroindol-7-yl)pyrido[2,3-d]pyrimidin-2-one;2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-(2,5-difluorophenyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 162132379
tetrakis(carbon dioxide);(1S)-N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-1-naphthalen-2-ylethanamine;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-N-[(1S)-1-naphthalen-2-ylethyl]benzamide;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]-N-[(1S)-1-phenylethyl]acetamide;5-[4-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]piperazin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine
CID 162182365
N-benzyl-4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indol-8-amine;4-chloro-N-[4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indol-8-yl]benzamide;2-[4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indol-8-yl]-4-methylbenzamide;N-[4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indol-8-yl]-1-phenylmethanesulfonamide
CID 173243108

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-propan-2-ylpyrazine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;methane;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 2-(4-chlorophenyl)-3-propan-2-ylpyrazine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;methane;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 157204112) is 2-(4-chlorophenyl)-3-propan-2-ylpyrazine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;methane;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-propan-2-ylpyrazine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;methane;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 2-(4-chlorophenyl)-3-propan-2-ylpyrazine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;methane;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine is C.C=C1C=Cc2ccc(-c3cccnc3C(C)C)cc2N1.CC(=O)Nc1cc(-c2cccnc2C(C)C)ccc1F.CC(C)c1ccccn1.CC(C)c1ncccc1-c1ccc2c(c1)=NCN=2.CC(C)c1ncccc1-c1ccc2c(c1)CN(C)C2=O.CC(C)c1ncccc1-c1ccc2cc[nH]c(=O)c2c1.CC(C)c1ncccc1-c1cccc2c1CC(=O)N2C.CC(C)c1ncccc1-c1cnc2c(c1)CCCN2.CC(C)c1nccnc1-c1ccc(Cl)cc1.Cc1cc(-c2cccnc2C(C)C)ccc1F.Cc1ncccc1-c1ccc(F)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-(4-chlorophenyl)-3-propan-2-ylpyrazine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;methane;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is ARDKILHXGXCQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2.2C17H18N2O.C17H16N2O.C16H17FN2O.C16H19N3.C15H16FN.C15H15N3.C13H13ClN2.C12H11FN2O2S.C8H11N.CH4/c1-12(2)18-16(5-4-10-19-18)15-9-8-14-7-6-13(3)20-17(14)11-15;1-11(2)17-13(7-5-9-18-17)12-6-4-8-15-14(12)10-16(20)19(15)3;1-11(2)16-14(5-4-8-18-16)12-6-7-15-13(9-12)10-19(3)17(15)20;1-11(2)16-14(4-3-8-18-16)13-6-5-12-7-9-19-17(20)15(12)10-13;1-10(2)16-13(5-4-8-18-16)12-6-7-14(17)15(9-12)19-11(3)20;1-11(2)15-14(6-4-7-17-15)13-9-12-5-3-8-18-16(12)19-10-13;1-10(2)15-13(5-4-8-17-15)12-6-7-14(16)11(3)9-12;1-10(2)15-12(4-3-7-16-15)11-5-6-13-14(8-11)18-9-17-13;1-9(2)12-13(16-8-7-15-12)10-3-5-11(14)6-4-10;1-8-10(3-2-6-15-8)9-4-5-11(13)12(7-9)18(14,16)17;1-7(2)8-5-3-4-6-9-8;/h4-12,20H,3H2,1-2H3;2*4-9,11H,10H2,1-3H3;3-11H,1-2H3,(H,19,20);4-10H,1-3H3,(H,19,20);4,6-7,9-11H,3,5,8H2,1-2H3,(H,18,19);4-10H,1-3H3;3-8,10H,9H2,1-2H3;3-9H,1-2H3;2-7H,1H3,(H2,14,16,17);3-7H,1-2H3;1H4.
What are the key properties of 2-(4-chlorophenyl)-3-propan-2-ylpyrazine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;methane;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
2-(4-chlorophenyl)-3-propan-2-ylpyrazine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;methane;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 2687.88 g/mol, XLogP of 37.99, 22 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-propan-2-ylpyrazine;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-methyl-3-pyridinyl)benzenesulfonamide;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;methane;2-methylidene-7-(2-propan-2-yl-3-pyridinyl)-1H-quinoline;1-methyl-4-(2-propan-2-yl-3-pyridinyl)-3H-indol-2-one;2-methyl-5-(2-propan-2-yl-3-pyridinyl)-3H-isoindol-1-one;2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;7-(2-propan-2-yl-3-pyridinyl)-2H-isoquinolin-1-one;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 157204112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).