1-tert-butyl-1,3-dihydroinden-2-one;3-tert-butyl-2,4-dimethylpyridine;5-tert-butyl-2,4-dimethylpyrimidine;3-tert-butyl-2-ethoxy-4-methylpyridine;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-2H-isoquinolin-1-one;3-tert-butyl-2-methoxy-4-methylpyridine;2-tert-butyl-3-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylidene-3,4-dihydro-2H-isoquinoline;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;3-tert-butyl-2-methylpyridine;5-tert-butyl-6-methylquinoline;5-tert-butyl-1H-quinolin-2-one;1-tert-butyl-4,5,6,7-tetrahydroindole;5-tert-butyl-2,4,6-trimethylpyrimidine

C209H288FN19O7 — CID 159565926

IUPAC1-tert-butyl-1,3-dihydroinden-2-one;3-tert-butyl-2,4-dimethylpyridine;5-tert-butyl-2,4-dimethylpyrimidine;3-tert-butyl-2-ethoxy-4-methylpyridine;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-2H-isoquinolin-1-one;3-tert-butyl-2-methoxy-4-methylpyridine;2-tert-butyl-3-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylidene-3,4-dihydro-2H-isoquinoline;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;3-tert-butyl-2-methylpyridine;5-tert-butyl-6-methylquinoline;5-tert-butyl-1H-quinolin-2-one;1-tert-butyl-4,5,6,7-tetrahydroindole;5-tert-butyl-2,4,6-trimethylpyrimidine
SMILESC=C1NCCc2c1cccc2C(C)(C)C.CC(C)(C)C1C(=O)Cc2ccccc21.CC(C)(C)c1cccc2[nH]c(=O)ccc12.CC(C)(C)c1cccc2c(=O)[nH]ccc12.CC(C)(C)c1cn[nH]c1-c1ccc(F)cc1.CC(C)(C)n1ccc2c1CCCC2.CC1=C(C(C)(C)C)C(=O)CC=C1.CCOc1nccc(C)c1C(C)(C)C.CN1C(=O)CCc2c1cccc2C(C)(C)C.COc1nccc(C)c1C(C)(C)C.Cc1[nH]nc(-c2ccccc2)c1C(C)(C)C.Cc1cc2ccccc2n1C(C)(C)C.Cc1ccc2ncccc2c1C(C)(C)C.Cc1ccnc(C)c1C(C)(C)C.Cc1nc(C)c(C(C)(C)C)c(C)n1.Cc1ncc(C(C)(C)C)c(C)n1.Cc1ncccc1C(C)(C)C
InChIInChI=1S/C14H18N2.C14H19NO.C14H17N.C14H19N.C13H15FN2.2C13H15NO.C13H17N.C13H16O.C12H19NO.C12H19N.C11H18N2.C11H17NO.C11H17N.C11H16O.C10H16N2.C10H15N/c1-10-12(14(2,3)4)13(16-15-10)11-8-6-5-7-9-11;1-14(2,3)11-6-5-7-12-10(11)8-9-13(16)15(12)4;1-10-7-8-12-11(6-5-9-15-12)13(10)14(2,3)4;1-10-11-6-5-7-13(14(2,3)4)12(11)8-9-15-10;1-13(2,3)11-8-15-16-12(11)9-4-6-10(14)7-5-9;1-13(2,3)11-6-4-5-10-9(11)7-8-14-12(10)15;1-13(2,3)10-5-4-6-11-9(10)7-8-12(15)14-11;1-10-9-11-7-5-6-8-12(11)14(10)13(2,3)4;1-13(2,3)12-10-7-5-4-6-9(10)8-11(12)14;1-6-14-11-10(12(3,4)5)9(2)7-8-13-11;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-7-10(11(4,5)6)8(2)13-9(3)12-7;1-8-6-7-12-10(13-5)9(8)11(2,3)4;1-8-6-7-12-9(2)10(8)11(3,4)5;1-8-6-5-7-9(12)10(8)11(2,3)4;1-7-9(10(3,4)5)6-11-8(2)12-7;1-8-9(10(2,3)4)6-5-7-11-8/h5-9H,1-4H3,(H,15,16);5-7H,8-9H2,1-4H3;5-9H,1-4H3;5-7,15H,1,8-9H2,2-4H3;4-8H,1-3H3,(H,15,16);2*4-8H,1-3H3,(H,14,15);5-9H,1-4H3;4-7,12H,8H2,1-3H3;7-8H,6H2,1-5H3;8-9H,4-7H2,1-3H3;1-6H3;6-7H,1-5H3;6-7H,1-5H3;5-6H,7H2,1-4H3;6H,1-5H3;5-7H,1-4H3
InChIKeyMHEPXSQVJMBTQE-UHFFFAOYSA-N
MW3197.73 g/mol
LogP51.88
Rot. Bonds5

About 1-tert-butyl-1,3-dihydroinden-2-one;3-tert-butyl-2,4-dimethylpyridine;5-tert-butyl-2,4-dimethylpyrimidine;3-tert-butyl-2-ethoxy-4-methylpyridine;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-2H-isoquinolin-1-one;3-tert-butyl-2-methoxy-4-methylpyridine;2-tert-butyl-3-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylidene-3,4-dihydro-2H-isoquinoline;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;3-tert-butyl-2-methylpyridine;5-tert-butyl-6-methylquinoline;5-tert-butyl-1H-quinolin-2-one;1-tert-butyl-4,5,6,7-tetrahydroindole;5-tert-butyl-2,4,6-trimethylpyrimidine

1-tert-butyl-1,3-dihydroinden-2-one;3-tert-butyl-2,4-dimethylpyridine;5-tert-butyl-2,4-dimethylpyrimidine;3-tert-butyl-2-ethoxy-4-methylpyridine;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-2H-isoquinolin-1-one;3-tert-butyl-2-methoxy-4-methylpyridine;2-tert-butyl-3-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylidene-3,4-dihydro-2H-isoquinoline;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;3-tert-butyl-2-methylpyridine;5-tert-butyl-6-methylquinoline;5-tert-butyl-1H-quinolin-2-one;1-tert-butyl-4,5,6,7-tetrahydroindole;5-tert-butyl-2,4,6-trimethylpyrimidine (PubChem CID 159565926) has the molecular formula C209H288FN19O7 and a molecular weight of 3197.73 g/mol. Its IUPAC name is 1-tert-butyl-1,3-dihydroinden-2-one;3-tert-butyl-2,4-dimethylpyridine;5-tert-butyl-2,4-dimethylpyrimidine;3-tert-butyl-2-ethoxy-4-methylpyridine;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-2H-isoquinolin-1-one;3-tert-butyl-2-methoxy-4-methylpyridine;2-tert-butyl-3-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylidene-3,4-dihydro-2H-isoquinoline;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;3-tert-butyl-2-methylpyridine;5-tert-butyl-6-methylquinoline;5-tert-butyl-1H-quinolin-2-one;1-tert-butyl-4,5,6,7-tetrahydroindole;5-tert-butyl-2,4,6-trimethylpyrimidine.

Molecular Properties

Compound Name1-tert-butyl-1,3-dihydroinden-2-one;3-tert-butyl-2,4-dimethylpyridine;5-tert-butyl-2,4-dimethylpyrimidine;3-tert-butyl-2-ethoxy-4-methylpyridine;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-2H-isoquinolin-1-one;3-tert-butyl-2-methoxy-4-methylpyridine;2-tert-butyl-3-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylidene-3,4-dihydro-2H-isoquinoline;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;3-tert-butyl-2-methylpyridine;5-tert-butyl-6-methylquinoline;5-tert-butyl-1H-quinolin-2-one;1-tert-butyl-4,5,6,7-tetrahydroindole;5-tert-butyl-2,4,6-trimethylpyrimidine
PubChem CID159565926
Molecular FormulaC209H288FN19O7
Molecular Weight3197.73 g/mol
Exact Mass3195.27
IUPAC Name1-tert-butyl-1,3-dihydroinden-2-one;3-tert-butyl-2,4-dimethylpyridine;5-tert-butyl-2,4-dimethylpyrimidine;3-tert-butyl-2-ethoxy-4-methylpyridine;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-2H-isoquinolin-1-one;3-tert-butyl-2-methoxy-4-methylpyridine;2-tert-butyl-3-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylidene-3,4-dihydro-2H-isoquinoline;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;3-tert-butyl-2-methylpyridine;5-tert-butyl-6-methylquinoline;5-tert-butyl-1H-quinolin-2-one;1-tert-butyl-4,5,6,7-tetrahydroindole;5-tert-butyl-2,4,6-trimethylpyrimidine
SMILESC=C1NCCc2c1cccc2C(C)(C)C.CC(C)(C)C1C(=O)Cc2ccccc21.CC(C)(C)c1cccc2[nH]c(=O)ccc12.CC(C)(C)c1cccc2c(=O)[nH]ccc12.CC(C)(C)c1cn[nH]c1-c1ccc(F)cc1.CC(C)(C)n1ccc2c1CCCC2.CC1=C(C(C)(C)C)C(=O)CC=C1.CCOc1nccc(C)c1C(C)(C)C.CN1C(=O)CCc2c1cccc2C(C)(C)C.COc1nccc(C)c1C(C)(C)C.Cc1[nH]nc(-c2ccccc2)c1C(C)(C)C.Cc1cc2ccccc2n1C(C)(C)C.Cc1ccc2ncccc2c1C(C)(C)C.Cc1ccnc(C)c1C(C)(C)C.Cc1nc(C)c(C(C)(C)C)c(C)n1.Cc1ncc(C(C)(C)C)c(C)n1.Cc1ncccc1C(C)(C)C
InChIInChI=1S/C14H18N2.C14H19NO.C14H17N.C14H19N.C13H15FN2.2C13H15NO.C13H17N.C13H16O.C12H19NO.C12H19N.C11H18N2.C11H17NO.C11H17N.C11H16O.C10H16N2.C10H15N/c1-10-12(14(2,3)4)13(16-15-10)11-8-6-5-7-9-11;1-14(2,3)11-6-5-7-12-10(11)8-9-13(16)15(12)4;1-10-7-8-12-11(6-5-9-15-12)13(10)14(2,3)4;1-10-11-6-5-7-13(14(2,3)4)12(11)8-9-15-10;1-13(2,3)11-8-15-16-12(11)9-4-6-10(14)7-5-9;1-13(2,3)11-6-4-5-10-9(11)7-8-14-12(10)15;1-13(2,3)10-5-4-6-11-9(10)7-8-12(15)14-11;1-10-9-11-7-5-6-8-12(11)14(10)13(2,3)4;1-13(2,3)12-10-7-5-4-6-9(10)8-11(12)14;1-6-14-11-10(12(3,4)5)9(2)7-8-13-11;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-7-10(11(4,5)6)8(2)13-9(3)12-7;1-8-6-7-12-10(13-5)9(8)11(2,3)4;1-8-6-7-12-9(2)10(8)11(3,4)5;1-8-6-5-7-9(12)10(8)11(2,3)4;1-7-9(10(3,4)5)6-11-8(2)12-7;1-8-9(10(2,3)4)6-5-7-11-8/h5-9H,1-4H3,(H,15,16);5-7H,8-9H2,1-4H3;5-9H,1-4H3;5-7,15H,1,8-9H2,2-4H3;4-8H,1-3H3,(H,15,16);2*4-8H,1-3H3,(H,14,15);5-9H,1-4H3;4-7,12H,8H2,1-3H3;7-8H,6H2,1-5H3;8-9H,4-7H2,1-3H3;1-6H3;6-7H,1-5H3;6-7H,1-5H3;5-6H,7H2,1-4H3;6H,1-5H3;5-7H,1-4H3
InChIKeyMHEPXSQVJMBTQE-UHFFFAOYSA-N
XLogP51.88
TPSA333.89 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds5
Heavy Atoms236
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003197.73
LogP ≤ 551.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 1-tert-butyl-1,3-dihydroinden-2-one;3-tert-butyl-2,4-dimethylpyridine;5-tert-butyl-2,4-dimethylpyrimidine;3-tert-butyl-2-ethoxy-4-methylpyridine;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-2H-isoquinolin-1-one;3-tert-butyl-2-methoxy-4-methylpyridine;2-tert-butyl-3-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylidene-3,4-dihydro-2H-isoquinoline;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;3-tert-butyl-2-methylpyridine;5-tert-butyl-6-methylquinoline;5-tert-butyl-1H-quinolin-2-one;1-tert-butyl-4,5,6,7-tetrahydroindole;5-tert-butyl-2,4,6-trimethylpyrimidine with MolForge

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Launch Full Analysis

Related Compounds

1-[3-(4-cyclopropyl-2H-indazol-3-yl)-3-fluorobutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(2,2-difluorocyclopropyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-fluoro-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[4-methyl-3-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid
CID 157309938
5-[5-(3-acetyl-4-fluorophenyl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-pyridinyl]-2-fluorobenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-methoxy-4-pyridinyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-oxo-1,2-dihydroinden-5-yl)-2-pyridinyl]-2,3-dihydroisoindol-1-one
CID 157769858
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;tert-butyl (2S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-5-oxopyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-2H-indazol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157921154
1-cyclopentyl-N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 157942100
5-[5-(3-acetyl-4-fluorophenyl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-pyridinyl]-2-fluorobenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-methoxy-4-pyridinyl)-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-5-(3-oxo-1,2-dihydroinden-5-yl)-2-pyridinyl]-2,3-dihydroisoindol-1-one;methane
CID 157969504
N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-[difluoro(pyridin-2-ylmethoxy)methyl]-4,5,6,7-tetrahydroindazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-2H-indazol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158253697
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 158328338
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 158956043
N-[3-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide;methane
CID 158970582
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[2-cyclopentyl-4-(trifluoromethyl)imidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1,1-difluoroethyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-indazol-1-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide
CID 159684710
8-tert-butylisoquinoline;4-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;1-tert-butyl-6-(1-methylpyrazol-4-yl)indole;4-tert-butyl-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;8-tert-butyl-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine;5-tert-butylquinazolin-2-amine;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 160208400
1-[5-(8-tert-butyl-7-fluoroisoquinolin-3-yl)-2-pyridinyl]propan-1-one;8-tert-butyl-2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butylisoquinoline;4-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-tert-butyl-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;8-tert-butyl-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine;5-tert-butylquinazolin-2-amine;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 160753487

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1,3-dihydroinden-2-one;3-tert-butyl-2,4-dimethylpyridine;5-tert-butyl-2,4-dimethylpyrimidine;3-tert-butyl-2-ethoxy-4-methylpyridine;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-2H-isoquinolin-1-one;3-tert-butyl-2-methoxy-4-methylpyridine;2-tert-butyl-3-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylidene-3,4-dihydro-2H-isoquinoline;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;3-tert-butyl-2-methylpyridine;5-tert-butyl-6-methylquinoline;5-tert-butyl-1H-quinolin-2-one;1-tert-butyl-4,5,6,7-tetrahydroindole;5-tert-butyl-2,4,6-trimethylpyrimidine?
The IUPAC name of 1-tert-butyl-1,3-dihydroinden-2-one;3-tert-butyl-2,4-dimethylpyridine;5-tert-butyl-2,4-dimethylpyrimidine;3-tert-butyl-2-ethoxy-4-methylpyridine;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-2H-isoquinolin-1-one;3-tert-butyl-2-methoxy-4-methylpyridine;2-tert-butyl-3-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylidene-3,4-dihydro-2H-isoquinoline;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;3-tert-butyl-2-methylpyridine;5-tert-butyl-6-methylquinoline;5-tert-butyl-1H-quinolin-2-one;1-tert-butyl-4,5,6,7-tetrahydroindole;5-tert-butyl-2,4,6-trimethylpyrimidine (CID 159565926) is 1-tert-butyl-1,3-dihydroinden-2-one;3-tert-butyl-2,4-dimethylpyridine;5-tert-butyl-2,4-dimethylpyrimidine;3-tert-butyl-2-ethoxy-4-methylpyridine;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-2H-isoquinolin-1-one;3-tert-butyl-2-methoxy-4-methylpyridine;2-tert-butyl-3-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylidene-3,4-dihydro-2H-isoquinoline;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;3-tert-butyl-2-methylpyridine;5-tert-butyl-6-methylquinoline;5-tert-butyl-1H-quinolin-2-one;1-tert-butyl-4,5,6,7-tetrahydroindole;5-tert-butyl-2,4,6-trimethylpyrimidine.
What is the SMILES notation for 1-tert-butyl-1,3-dihydroinden-2-one;3-tert-butyl-2,4-dimethylpyridine;5-tert-butyl-2,4-dimethylpyrimidine;3-tert-butyl-2-ethoxy-4-methylpyridine;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-2H-isoquinolin-1-one;3-tert-butyl-2-methoxy-4-methylpyridine;2-tert-butyl-3-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylidene-3,4-dihydro-2H-isoquinoline;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;3-tert-butyl-2-methylpyridine;5-tert-butyl-6-methylquinoline;5-tert-butyl-1H-quinolin-2-one;1-tert-butyl-4,5,6,7-tetrahydroindole;5-tert-butyl-2,4,6-trimethylpyrimidine?
The canonical SMILES for 1-tert-butyl-1,3-dihydroinden-2-one;3-tert-butyl-2,4-dimethylpyridine;5-tert-butyl-2,4-dimethylpyrimidine;3-tert-butyl-2-ethoxy-4-methylpyridine;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-2H-isoquinolin-1-one;3-tert-butyl-2-methoxy-4-methylpyridine;2-tert-butyl-3-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylidene-3,4-dihydro-2H-isoquinoline;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;3-tert-butyl-2-methylpyridine;5-tert-butyl-6-methylquinoline;5-tert-butyl-1H-quinolin-2-one;1-tert-butyl-4,5,6,7-tetrahydroindole;5-tert-butyl-2,4,6-trimethylpyrimidine is C=C1NCCc2c1cccc2C(C)(C)C.CC(C)(C)C1C(=O)Cc2ccccc21.CC(C)(C)c1cccc2[nH]c(=O)ccc12.CC(C)(C)c1cccc2c(=O)[nH]ccc12.CC(C)(C)c1cn[nH]c1-c1ccc(F)cc1.CC(C)(C)n1ccc2c1CCCC2.CC1=C(C(C)(C)C)C(=O)CC=C1.CCOc1nccc(C)c1C(C)(C)C.CN1C(=O)CCc2c1cccc2C(C)(C)C.COc1nccc(C)c1C(C)(C)C.Cc1[nH]nc(-c2ccccc2)c1C(C)(C)C.Cc1cc2ccccc2n1C(C)(C)C.Cc1ccc2ncccc2c1C(C)(C)C.Cc1ccnc(C)c1C(C)(C)C.Cc1nc(C)c(C(C)(C)C)c(C)n1.Cc1ncc(C(C)(C)C)c(C)n1.Cc1ncccc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-1,3-dihydroinden-2-one;3-tert-butyl-2,4-dimethylpyridine;5-tert-butyl-2,4-dimethylpyrimidine;3-tert-butyl-2-ethoxy-4-methylpyridine;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-2H-isoquinolin-1-one;3-tert-butyl-2-methoxy-4-methylpyridine;2-tert-butyl-3-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylidene-3,4-dihydro-2H-isoquinoline;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;3-tert-butyl-2-methylpyridine;5-tert-butyl-6-methylquinoline;5-tert-butyl-1H-quinolin-2-one;1-tert-butyl-4,5,6,7-tetrahydroindole;5-tert-butyl-2,4,6-trimethylpyrimidine?
The InChIKey is MHEPXSQVJMBTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.C14H19NO.C14H17N.C14H19N.C13H15FN2.2C13H15NO.C13H17N.C13H16O.C12H19NO.C12H19N.C11H18N2.C11H17NO.C11H17N.C11H16O.C10H16N2.C10H15N/c1-10-12(14(2,3)4)13(16-15-10)11-8-6-5-7-9-11;1-14(2,3)11-6-5-7-12-10(11)8-9-13(16)15(12)4;1-10-7-8-12-11(6-5-9-15-12)13(10)14(2,3)4;1-10-11-6-5-7-13(14(2,3)4)12(11)8-9-15-10;1-13(2,3)11-8-15-16-12(11)9-4-6-10(14)7-5-9;1-13(2,3)11-6-4-5-10-9(11)7-8-14-12(10)15;1-13(2,3)10-5-4-6-11-9(10)7-8-12(15)14-11;1-10-9-11-7-5-6-8-12(11)14(10)13(2,3)4;1-13(2,3)12-10-7-5-4-6-9(10)8-11(12)14;1-6-14-11-10(12(3,4)5)9(2)7-8-13-11;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-7-10(11(4,5)6)8(2)13-9(3)12-7;1-8-6-7-12-10(13-5)9(8)11(2,3)4;1-8-6-7-12-9(2)10(8)11(3,4)5;1-8-6-5-7-9(12)10(8)11(2,3)4;1-7-9(10(3,4)5)6-11-8(2)12-7;1-8-9(10(2,3)4)6-5-7-11-8/h5-9H,1-4H3,(H,15,16);5-7H,8-9H2,1-4H3;5-9H,1-4H3;5-7,15H,1,8-9H2,2-4H3;4-8H,1-3H3,(H,15,16);2*4-8H,1-3H3,(H,14,15);5-9H,1-4H3;4-7,12H,8H2,1-3H3;7-8H,6H2,1-5H3;8-9H,4-7H2,1-3H3;1-6H3;6-7H,1-5H3;6-7H,1-5H3;5-6H,7H2,1-4H3;6H,1-5H3;5-7H,1-4H3.
What are the key properties of 1-tert-butyl-1,3-dihydroinden-2-one;3-tert-butyl-2,4-dimethylpyridine;5-tert-butyl-2,4-dimethylpyrimidine;3-tert-butyl-2-ethoxy-4-methylpyridine;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-2H-isoquinolin-1-one;3-tert-butyl-2-methoxy-4-methylpyridine;2-tert-butyl-3-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylidene-3,4-dihydro-2H-isoquinoline;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;3-tert-butyl-2-methylpyridine;5-tert-butyl-6-methylquinoline;5-tert-butyl-1H-quinolin-2-one;1-tert-butyl-4,5,6,7-tetrahydroindole;5-tert-butyl-2,4,6-trimethylpyrimidine?
1-tert-butyl-1,3-dihydroinden-2-one;3-tert-butyl-2,4-dimethylpyridine;5-tert-butyl-2,4-dimethylpyrimidine;3-tert-butyl-2-ethoxy-4-methylpyridine;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-2H-isoquinolin-1-one;3-tert-butyl-2-methoxy-4-methylpyridine;2-tert-butyl-3-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylidene-3,4-dihydro-2H-isoquinoline;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;3-tert-butyl-2-methylpyridine;5-tert-butyl-6-methylquinoline;5-tert-butyl-1H-quinolin-2-one;1-tert-butyl-4,5,6,7-tetrahydroindole;5-tert-butyl-2,4,6-trimethylpyrimidine has a molecular weight of 3197.73 g/mol, XLogP of 51.88, 5 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1,3-dihydroinden-2-one;3-tert-butyl-2,4-dimethylpyridine;5-tert-butyl-2,4-dimethylpyrimidine;3-tert-butyl-2-ethoxy-4-methylpyridine;4-tert-butyl-5-(4-fluorophenyl)-1H-pyrazole;5-tert-butyl-2H-isoquinolin-1-one;3-tert-butyl-2-methoxy-4-methylpyridine;2-tert-butyl-3-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-1-methylidene-3,4-dihydro-2H-isoquinoline;1-tert-butyl-2-methylindole;4-tert-butyl-5-methyl-3-phenyl-1H-pyrazole;3-tert-butyl-2-methylpyridine;5-tert-butyl-6-methylquinoline;5-tert-butyl-1H-quinolin-2-one;1-tert-butyl-4,5,6,7-tetrahydroindole;5-tert-butyl-2,4,6-trimethylpyrimidine is sourced from PubChem (CID 159565926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).