1,3-dimethyl-5-propan-2-ylindazole;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;methyl 4-methyl-3-propan-2-ylbenzoate;N-methyl-3-propan-2-ylbenzamide;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;3-methyl-5-propan-2-yl-2H-indazole;1-(4-methyl-3-propan-2-ylphenyl)ethanone;3-propan-2-ylbenzamide;5-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1H-indazole;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)propan-1-one;1-(5-propan-2-yl-3-pyridinyl)ethanone

C188H239F2N17O12 — CID 161436049

IUPAC1,3-dimethyl-5-propan-2-ylindazole;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;methyl 4-methyl-3-propan-2-ylbenzoate;N-methyl-3-propan-2-ylbenzamide;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;3-methyl-5-propan-2-yl-2H-indazole;1-(4-methyl-3-propan-2-ylphenyl)ethanone;3-propan-2-ylbenzamide;5-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1H-indazole;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)propan-1-one;1-(5-propan-2-yl-3-pyridinyl)ethanone
SMILESCC(=O)c1cc(C(C)C)ccc1F.CC(=O)c1cc(F)cc(C(C)C)c1.CC(=O)c1ccc(C)c(C(C)C)c1.CC(=O)c1cccc(C(C)C)c1.CC(=O)c1cncc(C(C)C)c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)CCC2=O.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1ccc2nnn(C)c2c1.CC(C)c1cccc(C(N)=O)c1.CCC(=O)c1cccc(C(C)C)c1.CNC(=O)c1cccc(C(C)C)c1.COC(=O)c1ccc(C)c(C(C)C)c1.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1nn(C)c2ccc(C(C)C)cc12.Cc1noc2ccc(C(C)C)cc12
InChIInChI=1S/C12H16N2.C12H16O2.C12H14O.2C12H16O.2C11H13FO.3C11H14N2.C11H13NO.C11H15NO.C11H14O.C10H13N3.C10H12N2.2C10H13NO/c1-8(2)10-5-6-12-11(7-10)9(3)13-14(12)4;1-8(2)11-7-10(12(13)14-4)6-5-9(11)3;1-8(2)9-3-5-11-10(7-9)4-6-12(11)13;1-8(2)12-7-11(10(4)13)6-5-9(12)3;1-4-12(13)11-7-5-6-10(8-11)9(2)3;1-7(2)9-4-10(8(3)13)6-11(12)5-9;1-7(2)9-4-5-11(12)10(6-9)8(3)13;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;2*1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-8(2)9-5-4-6-10(7-9)11(13)12-3;1-8(2)10-5-4-6-11(7-10)9(3)12;1-7(2)8-4-5-9-10(6-8)13(3)12-11-9;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)9-4-10(8(3)12)6-11-5-9;1-7(2)8-4-3-5-9(6-8)10(11)12/h2*5-8H,1-4H3;3,5,7-8H,4,6H2,1-2H3;5-8H,1-4H3;5-9H,4H2,1-3H3;2*4-7H,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-8H,1-3H3,(H,12,13);4-8H,1-3H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);4-7H,1-3H3;3-7H,1-2H3,(H2,11,12)
InChIKeyVYQVUBWQOGAYCL-UHFFFAOYSA-N
MW2967.08 g/mol
LogP47.80
Rot. Bonds27

About 1,3-dimethyl-5-propan-2-ylindazole;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;methyl 4-methyl-3-propan-2-ylbenzoate;N-methyl-3-propan-2-ylbenzamide;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;3-methyl-5-propan-2-yl-2H-indazole;1-(4-methyl-3-propan-2-ylphenyl)ethanone;3-propan-2-ylbenzamide;5-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1H-indazole;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)propan-1-one;1-(5-propan-2-yl-3-pyridinyl)ethanone

1,3-dimethyl-5-propan-2-ylindazole;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;methyl 4-methyl-3-propan-2-ylbenzoate;N-methyl-3-propan-2-ylbenzamide;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;3-methyl-5-propan-2-yl-2H-indazole;1-(4-methyl-3-propan-2-ylphenyl)ethanone;3-propan-2-ylbenzamide;5-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1H-indazole;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)propan-1-one;1-(5-propan-2-yl-3-pyridinyl)ethanone (PubChem CID 161436049) has the molecular formula C188H239F2N17O12 and a molecular weight of 2967.08 g/mol. Its IUPAC name is 1,3-dimethyl-5-propan-2-ylindazole;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;methyl 4-methyl-3-propan-2-ylbenzoate;N-methyl-3-propan-2-ylbenzamide;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;3-methyl-5-propan-2-yl-2H-indazole;1-(4-methyl-3-propan-2-ylphenyl)ethanone;3-propan-2-ylbenzamide;5-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1H-indazole;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)propan-1-one;1-(5-propan-2-yl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1,3-dimethyl-5-propan-2-ylindazole;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;methyl 4-methyl-3-propan-2-ylbenzoate;N-methyl-3-propan-2-ylbenzamide;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;3-methyl-5-propan-2-yl-2H-indazole;1-(4-methyl-3-propan-2-ylphenyl)ethanone;3-propan-2-ylbenzamide;5-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1H-indazole;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)propan-1-one;1-(5-propan-2-yl-3-pyridinyl)ethanone
PubChem CID161436049
Molecular FormulaC188H239F2N17O12
Molecular Weight2967.08 g/mol
Exact Mass2964.86
IUPAC Name1,3-dimethyl-5-propan-2-ylindazole;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;methyl 4-methyl-3-propan-2-ylbenzoate;N-methyl-3-propan-2-ylbenzamide;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;3-methyl-5-propan-2-yl-2H-indazole;1-(4-methyl-3-propan-2-ylphenyl)ethanone;3-propan-2-ylbenzamide;5-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1H-indazole;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)propan-1-one;1-(5-propan-2-yl-3-pyridinyl)ethanone
SMILESCC(=O)c1cc(C(C)C)ccc1F.CC(=O)c1cc(F)cc(C(C)C)c1.CC(=O)c1ccc(C)c(C(C)C)c1.CC(=O)c1cccc(C(C)C)c1.CC(=O)c1cncc(C(C)C)c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)CCC2=O.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1ccc2nnn(C)c2c1.CC(C)c1cccc(C(N)=O)c1.CCC(=O)c1cccc(C(C)C)c1.CNC(=O)c1cccc(C(C)C)c1.COC(=O)c1ccc(C)c(C(C)C)c1.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1nn(C)c2ccc(C(C)C)cc12.Cc1noc2ccc(C(C)C)cc12
InChIInChI=1S/C12H16N2.C12H16O2.C12H14O.2C12H16O.2C11H13FO.3C11H14N2.C11H13NO.C11H15NO.C11H14O.C10H13N3.C10H12N2.2C10H13NO/c1-8(2)10-5-6-12-11(7-10)9(3)13-14(12)4;1-8(2)11-7-10(12(13)14-4)6-5-9(11)3;1-8(2)9-3-5-11-10(7-9)4-6-12(11)13;1-8(2)12-7-11(10(4)13)6-5-9(12)3;1-4-12(13)11-7-5-6-10(8-11)9(2)3;1-7(2)9-4-10(8(3)13)6-11(12)5-9;1-7(2)9-4-5-11(12)10(6-9)8(3)13;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;2*1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-8(2)9-5-4-6-10(7-9)11(13)12-3;1-8(2)10-5-4-6-11(7-10)9(3)12;1-7(2)8-4-5-9-10(6-8)13(3)12-11-9;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)9-4-10(8(3)12)6-11-5-9;1-7(2)8-4-3-5-9(6-8)10(11)12/h2*5-8H,1-4H3;3,5,7-8H,4,6H2,1-2H3;5-8H,1-4H3;5-9H,4H2,1-3H3;2*4-7H,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-8H,1-3H3,(H,12,13);4-8H,1-3H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);4-7H,1-3H3;3-7H,1-2H3,(H2,11,12)
InChIKeyVYQVUBWQOGAYCL-UHFFFAOYSA-N
XLogP47.80
TPSA398.43 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds27
Heavy Atoms219
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002967.08
LogP ≤ 547.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze 1,3-dimethyl-5-propan-2-ylindazole;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;methyl 4-methyl-3-propan-2-ylbenzoate;N-methyl-3-propan-2-ylbenzamide;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;3-methyl-5-propan-2-yl-2H-indazole;1-(4-methyl-3-propan-2-ylphenyl)ethanone;3-propan-2-ylbenzamide;5-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1H-indazole;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)propan-1-one;1-(5-propan-2-yl-3-pyridinyl)ethanone 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

3-[[3-(1,1-difluoroethoxy)phenyl]methyl]-7-[2-(1H-indazol-6-yl)ethynyl]-4,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine;7-[2-(1H-indazol-5-yl)ethynyl]-3-[(3-methoxyphenyl)methyl]-6-methyl-[1,2]oxazolo[4,5-c]pyridine;2-methyl-2-[3-[[4,5,6-trimethyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazol-3-yl]methyl]phenyl]propanenitrile
CID 159424414
4-amino-3-[3-[(4-fluoro-4-methylcyclohexyl)methylamino]-4-[1-(2,2,2-trifluoroethyl)pyrazole-4-carboximidoyl]phenyl]pent-3-en-2-one;2-[1-(2,2-difluoropropyl)pyrazole-4-carboximidoyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[phenyl(pyridin-2-yl)methyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazole-4-carboximidoyl)-N-[phenyl(pyridin-2-yl)methyl]aniline;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)indazol-6-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[4-(2-amino-4-oxopent-2-en-3-yl)-2-[[phenyl(pyridin-2-yl)methyl]amino]benzenecarboximidoyl]benzoate
CID 160945825
3-[[3-(1,1-difluoroethoxy)phenyl]methyl]-7-[2-(1H-indazol-6-yl)ethynyl]-6-methyl-1,2-benzoxazole;7-[2-(1H-indazol-5-yl)ethynyl]-3-[(3-methoxyphenyl)methyl]-6-methyl-1,2-benzoxazole;2-methyl-2-[3-[[6-methyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazol-3-yl]methyl]phenyl]propanenitrile
CID 161991341
2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-1H-quinolin-2-one;3-propan-2-yl-1H-quinoxalin-2-one
CID 157358332
1-[3-(2,1,3-benzothiadiazol-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;methyl (2R,5S)-1-benzyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxylate;N-[1-[2-(4-methylphenyl)ethyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;N-(1-phenacylazepan-3-yl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 157731293
2-chloro-N-[4-(3,5-dimethyl-1,2-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1,2-benzoxazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(5-methyl-1H-indazol-6-yl)phenyl]benzamide;2-chloro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;2,6-difluoro-N-[4-(5-methyl-1H-indazol-6-yl)phenyl]benzamide;2,6-difluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]benzamide;3-fluoro-N-[4-(6-methyl-1H-isoindol-5-yl)phenyl]pyridine-4-carboxamide
CID 158065768
ethane;5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole
CID 158217845
5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indene-1,2-dione;7-tert-butyl-3H-indene-1,2-dione;1-tert-butylindole;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;3-tert-butyl-6-methyl-1,2-benzoxazole;3-tert-butyl-1-methylindole;3-tert-butyl-2-methyl-1H-indole
CID 158296089
cumene;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylnaphthalene;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 158304437
2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;5-fluoro-4-propan-2-yl-1H-pyridin-2-one;5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-1H-quinolin-2-one
CID 158319161
2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1,2-benzoxazol-6-yl)methyl]acetamide;2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-2H-indazol-5-yl)methyl]acetamide;2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-2H-indazol-6-yl)methyl]acetamide;2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide;2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]acetamide
CID 159346565
5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole
CID 159692258

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propan-2-ylindazole;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;methyl 4-methyl-3-propan-2-ylbenzoate;N-methyl-3-propan-2-ylbenzamide;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;3-methyl-5-propan-2-yl-2H-indazole;1-(4-methyl-3-propan-2-ylphenyl)ethanone;3-propan-2-ylbenzamide;5-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1H-indazole;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)propan-1-one;1-(5-propan-2-yl-3-pyridinyl)ethanone?
The IUPAC name of 1,3-dimethyl-5-propan-2-ylindazole;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;methyl 4-methyl-3-propan-2-ylbenzoate;N-methyl-3-propan-2-ylbenzamide;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;3-methyl-5-propan-2-yl-2H-indazole;1-(4-methyl-3-propan-2-ylphenyl)ethanone;3-propan-2-ylbenzamide;5-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1H-indazole;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)propan-1-one;1-(5-propan-2-yl-3-pyridinyl)ethanone (CID 161436049) is 1,3-dimethyl-5-propan-2-ylindazole;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;methyl 4-methyl-3-propan-2-ylbenzoate;N-methyl-3-propan-2-ylbenzamide;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;3-methyl-5-propan-2-yl-2H-indazole;1-(4-methyl-3-propan-2-ylphenyl)ethanone;3-propan-2-ylbenzamide;5-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1H-indazole;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)propan-1-one;1-(5-propan-2-yl-3-pyridinyl)ethanone.
What is the SMILES notation for 1,3-dimethyl-5-propan-2-ylindazole;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;methyl 4-methyl-3-propan-2-ylbenzoate;N-methyl-3-propan-2-ylbenzamide;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;3-methyl-5-propan-2-yl-2H-indazole;1-(4-methyl-3-propan-2-ylphenyl)ethanone;3-propan-2-ylbenzamide;5-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1H-indazole;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)propan-1-one;1-(5-propan-2-yl-3-pyridinyl)ethanone?
The canonical SMILES for 1,3-dimethyl-5-propan-2-ylindazole;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;methyl 4-methyl-3-propan-2-ylbenzoate;N-methyl-3-propan-2-ylbenzamide;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;3-methyl-5-propan-2-yl-2H-indazole;1-(4-methyl-3-propan-2-ylphenyl)ethanone;3-propan-2-ylbenzamide;5-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1H-indazole;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)propan-1-one;1-(5-propan-2-yl-3-pyridinyl)ethanone is CC(=O)c1cc(C(C)C)ccc1F.CC(=O)c1cc(F)cc(C(C)C)c1.CC(=O)c1ccc(C)c(C(C)C)c1.CC(=O)c1cccc(C(C)C)c1.CC(=O)c1cncc(C(C)C)c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)CCC2=O.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1ccc2nnn(C)c2c1.CC(C)c1cccc(C(N)=O)c1.CCC(=O)c1cccc(C(C)C)c1.CNC(=O)c1cccc(C(C)C)c1.COC(=O)c1ccc(C)c(C(C)C)c1.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1nn(C)c2ccc(C(C)C)cc12.Cc1noc2ccc(C(C)C)cc12.
What is the InChIKey of 1,3-dimethyl-5-propan-2-ylindazole;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;methyl 4-methyl-3-propan-2-ylbenzoate;N-methyl-3-propan-2-ylbenzamide;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;3-methyl-5-propan-2-yl-2H-indazole;1-(4-methyl-3-propan-2-ylphenyl)ethanone;3-propan-2-ylbenzamide;5-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1H-indazole;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)propan-1-one;1-(5-propan-2-yl-3-pyridinyl)ethanone?
The InChIKey is VYQVUBWQOGAYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.C12H16O2.C12H14O.2C12H16O.2C11H13FO.3C11H14N2.C11H13NO.C11H15NO.C11H14O.C10H13N3.C10H12N2.2C10H13NO/c1-8(2)10-5-6-12-11(7-10)9(3)13-14(12)4;1-8(2)11-7-10(12(13)14-4)6-5-9(11)3;1-8(2)9-3-5-11-10(7-9)4-6-12(11)13;1-8(2)12-7-11(10(4)13)6-5-9(12)3;1-4-12(13)11-7-5-6-10(8-11)9(2)3;1-7(2)9-4-10(8(3)13)6-11(12)5-9;1-7(2)9-4-5-11(12)10(6-9)8(3)13;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;2*1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-8(2)9-5-4-6-10(7-9)11(13)12-3;1-8(2)10-5-4-6-11(7-10)9(3)12;1-7(2)8-4-5-9-10(6-8)13(3)12-11-9;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)9-4-10(8(3)12)6-11-5-9;1-7(2)8-4-3-5-9(6-8)10(11)12/h2*5-8H,1-4H3;3,5,7-8H,4,6H2,1-2H3;5-8H,1-4H3;5-9H,4H2,1-3H3;2*4-7H,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-8H,1-3H3,(H,12,13);4-8H,1-3H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);4-7H,1-3H3;3-7H,1-2H3,(H2,11,12).
What are the key properties of 1,3-dimethyl-5-propan-2-ylindazole;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;methyl 4-methyl-3-propan-2-ylbenzoate;N-methyl-3-propan-2-ylbenzamide;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;3-methyl-5-propan-2-yl-2H-indazole;1-(4-methyl-3-propan-2-ylphenyl)ethanone;3-propan-2-ylbenzamide;5-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1H-indazole;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)propan-1-one;1-(5-propan-2-yl-3-pyridinyl)ethanone?
1,3-dimethyl-5-propan-2-ylindazole;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;methyl 4-methyl-3-propan-2-ylbenzoate;N-methyl-3-propan-2-ylbenzamide;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;3-methyl-5-propan-2-yl-2H-indazole;1-(4-methyl-3-propan-2-ylphenyl)ethanone;3-propan-2-ylbenzamide;5-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1H-indazole;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)propan-1-one;1-(5-propan-2-yl-3-pyridinyl)ethanone has a molecular weight of 2967.08 g/mol, XLogP of 47.80, 27 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propan-2-ylindazole;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;methyl 4-methyl-3-propan-2-ylbenzoate;N-methyl-3-propan-2-ylbenzamide;1-methyl-6-propan-2-ylbenzotriazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;3-methyl-5-propan-2-yl-2H-indazole;1-(4-methyl-3-propan-2-ylphenyl)ethanone;3-propan-2-ylbenzamide;5-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1H-indazole;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)propan-1-one;1-(5-propan-2-yl-3-pyridinyl)ethanone is sourced from PubChem (CID 161436049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).