1-tert-butyl-4-(2-tert-butyl-4-propan-2-ylphenyl)pyrazole;8-tert-butyl-4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;N-tert-butyl-N-methyl-3-propan-2-ylindole-1-sulfonamide;N-tert-butyl-3-propan-2-ylindole-1-sulfonamide;4-(2-tert-butyl-4-propan-2-ylphenyl)-1-ethylpyrazole;4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-(2-tert-butyl-4-propan-2-ylphenyl)-1-propan-2-ylpyrrole;8-tert-butyl-1,4,4-trimethyl-2-methylidene-6-propan-2-yl-3H-quinoline;N-cyclohexyl-3-propan-2-ylindole-1-sulfonamide;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole

C250H371N23O15S7 — CID 158155255

IUPAC1-tert-butyl-4-(2-tert-butyl-4-propan-2-ylphenyl)pyrazole;8-tert-butyl-4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;N-tert-butyl-N-methyl-3-propan-2-ylindole-1-sulfonamide;N-tert-butyl-3-propan-2-ylindole-1-sulfonamide;4-(2-tert-butyl-4-propan-2-ylphenyl)-1-ethylpyrazole;4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-(2-tert-butyl-4-propan-2-ylphenyl)-1-propan-2-ylpyrrole;8-tert-butyl-1,4,4-trimethyl-2-methylidene-6-propan-2-yl-3H-quinoline;N-cyclohexyl-3-propan-2-ylindole-1-sulfonamide;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole
SMILESC=C1CC(C)(C)c2cc(C(C)C)cc(C(C)(C)C)c2N1.C=C1CC(C)(C)c2cc(C(C)C)cc(C(C)(C)C)c2N1C.CC(C)c1ccc(-c2cccn2C(C)C)c(C(C)(C)C)c1.CC(C)c1ccc(-c2cnn(C(C)(C)C)c2)c(C(C)(C)C)c1.CC(C)c1ccc(CN2CCOCC2(C)C)c(C(C)(C)C)c1.CC(C)c1ccc(N2CCCCC2)c(C(C)(C)C)c1.CC(C)c1cn(S(=O)(=O)N(C)C(C)(C)C)c2ccccc12.CC(C)c1cn(S(=O)(=O)N2CCCCC2)c2ccccc12.CC(C)c1cn(S(=O)(=O)NC(C)(C)C)c2ccccc12.CC(C)c1cn(S(=O)(=O)NC2CCCCC2)c2ccccc12.CCn1cc(-c2ccc(C(C)C)cc2C(C)(C)C)cn1.Cc1c(C(C)C)c2ccccc2n1S(=O)(=O)N1CCCCC1.Cc1ccc2c(C(C)C)cn(S(=O)(=O)N3CCCCC3)c2c1.Cc1cccc2c(C(C)C)cn(S(=O)(=O)N3CCCCC3)c12
InChIInChI=1S/C20H30N2.C20H33NO.C20H31N.C20H29N.C19H29N.C18H26N2.C18H29N.4C17H24N2O2S.C16H22N2O2S.C16H24N2O2S.C15H22N2O2S/c1-14(2)15-9-10-17(18(11-15)19(3,4)5)16-12-21-22(13-16)20(6,7)8;1-15(2)16-8-9-17(18(12-16)19(3,4)5)13-21-10-11-22-14-20(21,6)7;1-13(2)15-10-16(19(4,5)6)18-17(11-15)20(7,8)12-14(3)21(18)9;1-14(2)16-10-11-17(18(13-16)20(5,6)7)19-9-8-12-21(19)15(3)4;1-12(2)14-9-15(18(4,5)6)17-16(10-14)19(7,8)11-13(3)20-17;1-7-20-12-15(11-19-20)16-9-8-14(13(2)3)10-17(16)18(4,5)6;1-14(2)15-9-10-17(16(13-15)18(3,4)5)19-11-7-6-8-12-19;1-13(2)17-14(3)19(16-10-6-5-9-15(16)17)22(20,21)18-11-7-4-8-12-18;1-13(2)16-12-19(17-14(3)8-7-9-15(16)17)22(20,21)18-10-5-4-6-11-18;1-13(2)16-12-19(17-11-14(3)7-8-15(16)17)22(20,21)18-9-5-4-6-10-18;1-13(2)16-12-19(17-11-7-6-10-15(16)17)22(20,21)18-14-8-4-3-5-9-14;1-13(2)15-12-18(16-9-5-4-8-14(15)16)21(19,20)17-10-6-3-7-11-17;1-12(2)14-11-18(15-10-8-7-9-13(14)15)21(19,20)17(6)16(3,4)5;1-11(2)13-10-17(14-9-7-6-8-12(13)14)20(18,19)16-15(3,4)5/h9-14H,1-8H3;8-9,12,15H,10-11,13-14H2,1-7H3;10-11,13H,3,12H2,1-2,4-9H3;8-15H,1-7H3;9-10,12,20H,3,11H2,1-2,4-8H3;8-13H,7H2,1-6H3;9-10,13-14H,6-8,11-12H2,1-5H3;5-6,9-10,13H,4,7-8,11-12H2,1-3H3;7-9,12-13H,4-6,10-11H2,1-3H3;7-8,11-13H,4-6,9-10H2,1-3H3;6-7,10-14,18H,3-5,8-9H2,1-2H3;4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3;7-12H,1-6H3;6-11,16H,1-5H3
InChIKeyFVPGNQHMIURNMV-UHFFFAOYSA-N
MW4163.33 g/mol
LogP63.06
Rot. Bonds37

About 1-tert-butyl-4-(2-tert-butyl-4-propan-2-ylphenyl)pyrazole;8-tert-butyl-4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;N-tert-butyl-N-methyl-3-propan-2-ylindole-1-sulfonamide;N-tert-butyl-3-propan-2-ylindole-1-sulfonamide;4-(2-tert-butyl-4-propan-2-ylphenyl)-1-ethylpyrazole;4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-(2-tert-butyl-4-propan-2-ylphenyl)-1-propan-2-ylpyrrole;8-tert-butyl-1,4,4-trimethyl-2-methylidene-6-propan-2-yl-3H-quinoline;N-cyclohexyl-3-propan-2-ylindole-1-sulfonamide;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole

1-tert-butyl-4-(2-tert-butyl-4-propan-2-ylphenyl)pyrazole;8-tert-butyl-4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;N-tert-butyl-N-methyl-3-propan-2-ylindole-1-sulfonamide;N-tert-butyl-3-propan-2-ylindole-1-sulfonamide;4-(2-tert-butyl-4-propan-2-ylphenyl)-1-ethylpyrazole;4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-(2-tert-butyl-4-propan-2-ylphenyl)-1-propan-2-ylpyrrole;8-tert-butyl-1,4,4-trimethyl-2-methylidene-6-propan-2-yl-3H-quinoline;N-cyclohexyl-3-propan-2-ylindole-1-sulfonamide;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole (PubChem CID 158155255) has the molecular formula C250H371N23O15S7 and a molecular weight of 4163.33 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-tert-butyl-4-propan-2-ylphenyl)pyrazole;8-tert-butyl-4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;N-tert-butyl-N-methyl-3-propan-2-ylindole-1-sulfonamide;N-tert-butyl-3-propan-2-ylindole-1-sulfonamide;4-(2-tert-butyl-4-propan-2-ylphenyl)-1-ethylpyrazole;4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-(2-tert-butyl-4-propan-2-ylphenyl)-1-propan-2-ylpyrrole;8-tert-butyl-1,4,4-trimethyl-2-methylidene-6-propan-2-yl-3H-quinoline;N-cyclohexyl-3-propan-2-ylindole-1-sulfonamide;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole.

Molecular Properties

Compound Name1-tert-butyl-4-(2-tert-butyl-4-propan-2-ylphenyl)pyrazole;8-tert-butyl-4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;N-tert-butyl-N-methyl-3-propan-2-ylindole-1-sulfonamide;N-tert-butyl-3-propan-2-ylindole-1-sulfonamide;4-(2-tert-butyl-4-propan-2-ylphenyl)-1-ethylpyrazole;4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-(2-tert-butyl-4-propan-2-ylphenyl)-1-propan-2-ylpyrrole;8-tert-butyl-1,4,4-trimethyl-2-methylidene-6-propan-2-yl-3H-quinoline;N-cyclohexyl-3-propan-2-ylindole-1-sulfonamide;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole
PubChem CID158155255
Molecular FormulaC250H371N23O15S7
Molecular Weight4163.33 g/mol
Exact Mass4159.70
IUPAC Name1-tert-butyl-4-(2-tert-butyl-4-propan-2-ylphenyl)pyrazole;8-tert-butyl-4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;N-tert-butyl-N-methyl-3-propan-2-ylindole-1-sulfonamide;N-tert-butyl-3-propan-2-ylindole-1-sulfonamide;4-(2-tert-butyl-4-propan-2-ylphenyl)-1-ethylpyrazole;4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-(2-tert-butyl-4-propan-2-ylphenyl)-1-propan-2-ylpyrrole;8-tert-butyl-1,4,4-trimethyl-2-methylidene-6-propan-2-yl-3H-quinoline;N-cyclohexyl-3-propan-2-ylindole-1-sulfonamide;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole
SMILESC=C1CC(C)(C)c2cc(C(C)C)cc(C(C)(C)C)c2N1.C=C1CC(C)(C)c2cc(C(C)C)cc(C(C)(C)C)c2N1C.CC(C)c1ccc(-c2cccn2C(C)C)c(C(C)(C)C)c1.CC(C)c1ccc(-c2cnn(C(C)(C)C)c2)c(C(C)(C)C)c1.CC(C)c1ccc(CN2CCOCC2(C)C)c(C(C)(C)C)c1.CC(C)c1ccc(N2CCCCC2)c(C(C)(C)C)c1.CC(C)c1cn(S(=O)(=O)N(C)C(C)(C)C)c2ccccc12.CC(C)c1cn(S(=O)(=O)N2CCCCC2)c2ccccc12.CC(C)c1cn(S(=O)(=O)NC(C)(C)C)c2ccccc12.CC(C)c1cn(S(=O)(=O)NC2CCCCC2)c2ccccc12.CCn1cc(-c2ccc(C(C)C)cc2C(C)(C)C)cn1.Cc1c(C(C)C)c2ccccc2n1S(=O)(=O)N1CCCCC1.Cc1ccc2c(C(C)C)cn(S(=O)(=O)N3CCCCC3)c2c1.Cc1cccc2c(C(C)C)cn(S(=O)(=O)N3CCCCC3)c12
InChIInChI=1S/C20H30N2.C20H33NO.C20H31N.C20H29N.C19H29N.C18H26N2.C18H29N.4C17H24N2O2S.C16H22N2O2S.C16H24N2O2S.C15H22N2O2S/c1-14(2)15-9-10-17(18(11-15)19(3,4)5)16-12-21-22(13-16)20(6,7)8;1-15(2)16-8-9-17(18(12-16)19(3,4)5)13-21-10-11-22-14-20(21,6)7;1-13(2)15-10-16(19(4,5)6)18-17(11-15)20(7,8)12-14(3)21(18)9;1-14(2)16-10-11-17(18(13-16)20(5,6)7)19-9-8-12-21(19)15(3)4;1-12(2)14-9-15(18(4,5)6)17-16(10-14)19(7,8)11-13(3)20-17;1-7-20-12-15(11-19-20)16-9-8-14(13(2)3)10-17(16)18(4,5)6;1-14(2)15-9-10-17(16(13-15)18(3,4)5)19-11-7-6-8-12-19;1-13(2)17-14(3)19(16-10-6-5-9-15(16)17)22(20,21)18-11-7-4-8-12-18;1-13(2)16-12-19(17-14(3)8-7-9-15(16)17)22(20,21)18-10-5-4-6-11-18;1-13(2)16-12-19(17-11-14(3)7-8-15(16)17)22(20,21)18-9-5-4-6-10-18;1-13(2)16-12-19(17-11-7-6-10-15(16)17)22(20,21)18-14-8-4-3-5-9-14;1-13(2)15-12-18(16-9-5-4-8-14(15)16)21(19,20)17-10-6-3-7-11-17;1-12(2)14-11-18(15-10-8-7-9-13(14)15)21(19,20)17(6)16(3,4)5;1-11(2)13-10-17(14-9-7-6-8-12(13)14)20(18,19)16-15(3,4)5/h9-14H,1-8H3;8-9,12,15H,10-11,13-14H2,1-7H3;10-11,13H,3,12H2,1-2,4-9H3;8-15H,1-7H3;9-10,12,20H,3,11H2,1-2,4-8H3;8-13H,7H2,1-6H3;9-10,13-14H,6-8,11-12H2,1-5H3;5-6,9-10,13H,4,7-8,11-12H2,1-3H3;7-9,12-13H,4-6,10-11H2,1-3H3;7-8,11-13H,4-6,9-10H2,1-3H3;6-7,10-14,18H,3-5,8-9H2,1-2H3;4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3;7-12H,1-6H3;6-11,16H,1-5H3
InChIKeyFVPGNQHMIURNMV-UHFFFAOYSA-N
XLogP63.06
TPSA385.30 Ų
H-Bond Donors3
H-Bond Acceptors31
Rotatable Bonds37
Heavy Atoms295
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004163.33
LogP ≤ 563.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1031

Analyze 1-tert-butyl-4-(2-tert-butyl-4-propan-2-ylphenyl)pyrazole;8-tert-butyl-4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;N-tert-butyl-N-methyl-3-propan-2-ylindole-1-sulfonamide;N-tert-butyl-3-propan-2-ylindole-1-sulfonamide;4-(2-tert-butyl-4-propan-2-ylphenyl)-1-ethylpyrazole;4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-(2-tert-butyl-4-propan-2-ylphenyl)-1-propan-2-ylpyrrole;8-tert-butyl-1,4,4-trimethyl-2-methylidene-6-propan-2-yl-3H-quinoline;N-cyclohexyl-3-propan-2-ylindole-1-sulfonamide;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole with MolForge

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Launch Full Analysis

Related Compounds

1-[3-(2-methyl-1H-indol-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 157194427
6-[3-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[4-(methylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[1-(2-methylpropyl)pyrazol-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-methylpyrazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 158186167
tert-butylbenzene;tert-butylcyclohexane;4-tert-butyl-2-fluoropyridine;6-tert-butyl-1H-indene;6-tert-butyl-1-methylindole;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridazine;1-tert-butylpyrrolidine;2,2-dimethylpropane;2,2-dimethylpropylcyclohexane
CID 158804327
6-(2-Methylindazol-5-yl)-2-(1-methylpiperidin-4-yl)quinoline;3-(2-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnoline;4-methyl-6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline
CID 158959919
4-[(2-Tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole
CID 158971253
1-[5-Tert-butyl-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[2,5-dimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;1-[5-isocyano-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazol-2-ium;2-methyl-1-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indazol-2-ium;2-methyl-1-[2,4,6-trimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]indazol-2-ium
CID 159067875
6-[6-(difluoromethyl)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1,3-dimethylindazol-5-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1,3-dimethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 159592666
1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(7-methyl-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(7-methyl-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 160541676
1-tert-butyl-4-(2-tert-butyl-4-propan-2-ylphenyl)pyrazole;8-tert-butyl-4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;N-tert-butyl-N-methyl-3-propan-2-ylindole-1-sulfonamide;N-tert-butyl-3-propan-2-ylindole-1-sulfonamide;4-(2-tert-butyl-4-propan-2-ylphenyl)-1-ethyl-5-methylpyrazole;4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-(2-tert-butyl-4-propan-2-ylphenyl)-1-propan-2-ylpyrrole;8-tert-butyl-1,4,4-trimethyl-2-methylidene-6-propan-2-yl-3H-quinoline;N-cyclohexyl-3-propan-2-ylindole-1-sulfonamide;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole
CID 160708331
N-tert-butyl-N-methyl-3-propan-2-ylindole-1-sulfonamide;N-tert-butyl-3-propan-2-ylindole-1-sulfonamide;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;N-cyclohexyl-3-propan-2-ylindole-1-sulfonamide;methane;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;bis(1-piperidin-1-ylsulfonyl-3-propan-2-ylindole)
CID 160869525
6-(1,3-dimethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-ethanimidoyl-4-(methylamino)phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(1-ethylindazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-ethyl-4-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 161001267
3-[5-Tert-butyl-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazole;3-[2,5-dimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazole;3-[5-isocyano-2-methyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methylindazole;2-methyl-3-[2-methyl-3-(2-methylpyridin-1-ium-1-yl)naphthalen-1-yl]indazole;2-methyl-3-[2,4,6-trimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]indazole
CID 161626692

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-tert-butyl-4-propan-2-ylphenyl)pyrazole;8-tert-butyl-4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;N-tert-butyl-N-methyl-3-propan-2-ylindole-1-sulfonamide;N-tert-butyl-3-propan-2-ylindole-1-sulfonamide;4-(2-tert-butyl-4-propan-2-ylphenyl)-1-ethylpyrazole;4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-(2-tert-butyl-4-propan-2-ylphenyl)-1-propan-2-ylpyrrole;8-tert-butyl-1,4,4-trimethyl-2-methylidene-6-propan-2-yl-3H-quinoline;N-cyclohexyl-3-propan-2-ylindole-1-sulfonamide;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole?
The IUPAC name of 1-tert-butyl-4-(2-tert-butyl-4-propan-2-ylphenyl)pyrazole;8-tert-butyl-4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;N-tert-butyl-N-methyl-3-propan-2-ylindole-1-sulfonamide;N-tert-butyl-3-propan-2-ylindole-1-sulfonamide;4-(2-tert-butyl-4-propan-2-ylphenyl)-1-ethylpyrazole;4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-(2-tert-butyl-4-propan-2-ylphenyl)-1-propan-2-ylpyrrole;8-tert-butyl-1,4,4-trimethyl-2-methylidene-6-propan-2-yl-3H-quinoline;N-cyclohexyl-3-propan-2-ylindole-1-sulfonamide;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole (CID 158155255) is 1-tert-butyl-4-(2-tert-butyl-4-propan-2-ylphenyl)pyrazole;8-tert-butyl-4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;N-tert-butyl-N-methyl-3-propan-2-ylindole-1-sulfonamide;N-tert-butyl-3-propan-2-ylindole-1-sulfonamide;4-(2-tert-butyl-4-propan-2-ylphenyl)-1-ethylpyrazole;4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-(2-tert-butyl-4-propan-2-ylphenyl)-1-propan-2-ylpyrrole;8-tert-butyl-1,4,4-trimethyl-2-methylidene-6-propan-2-yl-3H-quinoline;N-cyclohexyl-3-propan-2-ylindole-1-sulfonamide;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole.
What is the SMILES notation for 1-tert-butyl-4-(2-tert-butyl-4-propan-2-ylphenyl)pyrazole;8-tert-butyl-4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;N-tert-butyl-N-methyl-3-propan-2-ylindole-1-sulfonamide;N-tert-butyl-3-propan-2-ylindole-1-sulfonamide;4-(2-tert-butyl-4-propan-2-ylphenyl)-1-ethylpyrazole;4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-(2-tert-butyl-4-propan-2-ylphenyl)-1-propan-2-ylpyrrole;8-tert-butyl-1,4,4-trimethyl-2-methylidene-6-propan-2-yl-3H-quinoline;N-cyclohexyl-3-propan-2-ylindole-1-sulfonamide;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole?
The canonical SMILES for 1-tert-butyl-4-(2-tert-butyl-4-propan-2-ylphenyl)pyrazole;8-tert-butyl-4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;N-tert-butyl-N-methyl-3-propan-2-ylindole-1-sulfonamide;N-tert-butyl-3-propan-2-ylindole-1-sulfonamide;4-(2-tert-butyl-4-propan-2-ylphenyl)-1-ethylpyrazole;4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-(2-tert-butyl-4-propan-2-ylphenyl)-1-propan-2-ylpyrrole;8-tert-butyl-1,4,4-trimethyl-2-methylidene-6-propan-2-yl-3H-quinoline;N-cyclohexyl-3-propan-2-ylindole-1-sulfonamide;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole is C=C1CC(C)(C)c2cc(C(C)C)cc(C(C)(C)C)c2N1.C=C1CC(C)(C)c2cc(C(C)C)cc(C(C)(C)C)c2N1C.CC(C)c1ccc(-c2cccn2C(C)C)c(C(C)(C)C)c1.CC(C)c1ccc(-c2cnn(C(C)(C)C)c2)c(C(C)(C)C)c1.CC(C)c1ccc(CN2CCOCC2(C)C)c(C(C)(C)C)c1.CC(C)c1ccc(N2CCCCC2)c(C(C)(C)C)c1.CC(C)c1cn(S(=O)(=O)N(C)C(C)(C)C)c2ccccc12.CC(C)c1cn(S(=O)(=O)N2CCCCC2)c2ccccc12.CC(C)c1cn(S(=O)(=O)NC(C)(C)C)c2ccccc12.CC(C)c1cn(S(=O)(=O)NC2CCCCC2)c2ccccc12.CCn1cc(-c2ccc(C(C)C)cc2C(C)(C)C)cn1.Cc1c(C(C)C)c2ccccc2n1S(=O)(=O)N1CCCCC1.Cc1ccc2c(C(C)C)cn(S(=O)(=O)N3CCCCC3)c2c1.Cc1cccc2c(C(C)C)cn(S(=O)(=O)N3CCCCC3)c12.
What is the InChIKey of 1-tert-butyl-4-(2-tert-butyl-4-propan-2-ylphenyl)pyrazole;8-tert-butyl-4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;N-tert-butyl-N-methyl-3-propan-2-ylindole-1-sulfonamide;N-tert-butyl-3-propan-2-ylindole-1-sulfonamide;4-(2-tert-butyl-4-propan-2-ylphenyl)-1-ethylpyrazole;4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-(2-tert-butyl-4-propan-2-ylphenyl)-1-propan-2-ylpyrrole;8-tert-butyl-1,4,4-trimethyl-2-methylidene-6-propan-2-yl-3H-quinoline;N-cyclohexyl-3-propan-2-ylindole-1-sulfonamide;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole?
The InChIKey is FVPGNQHMIURNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2.C20H33NO.C20H31N.C20H29N.C19H29N.C18H26N2.C18H29N.4C17H24N2O2S.C16H22N2O2S.C16H24N2O2S.C15H22N2O2S/c1-14(2)15-9-10-17(18(11-15)19(3,4)5)16-12-21-22(13-16)20(6,7)8;1-15(2)16-8-9-17(18(12-16)19(3,4)5)13-21-10-11-22-14-20(21,6)7;1-13(2)15-10-16(19(4,5)6)18-17(11-15)20(7,8)12-14(3)21(18)9;1-14(2)16-10-11-17(18(13-16)20(5,6)7)19-9-8-12-21(19)15(3)4;1-12(2)14-9-15(18(4,5)6)17-16(10-14)19(7,8)11-13(3)20-17;1-7-20-12-15(11-19-20)16-9-8-14(13(2)3)10-17(16)18(4,5)6;1-14(2)15-9-10-17(16(13-15)18(3,4)5)19-11-7-6-8-12-19;1-13(2)17-14(3)19(16-10-6-5-9-15(16)17)22(20,21)18-11-7-4-8-12-18;1-13(2)16-12-19(17-14(3)8-7-9-15(16)17)22(20,21)18-10-5-4-6-11-18;1-13(2)16-12-19(17-11-14(3)7-8-15(16)17)22(20,21)18-9-5-4-6-10-18;1-13(2)16-12-19(17-11-7-6-10-15(16)17)22(20,21)18-14-8-4-3-5-9-14;1-13(2)15-12-18(16-9-5-4-8-14(15)16)21(19,20)17-10-6-3-7-11-17;1-12(2)14-11-18(15-10-8-7-9-13(14)15)21(19,20)17(6)16(3,4)5;1-11(2)13-10-17(14-9-7-6-8-12(13)14)20(18,19)16-15(3,4)5/h9-14H,1-8H3;8-9,12,15H,10-11,13-14H2,1-7H3;10-11,13H,3,12H2,1-2,4-9H3;8-15H,1-7H3;9-10,12,20H,3,11H2,1-2,4-8H3;8-13H,7H2,1-6H3;9-10,13-14H,6-8,11-12H2,1-5H3;5-6,9-10,13H,4,7-8,11-12H2,1-3H3;7-9,12-13H,4-6,10-11H2,1-3H3;7-8,11-13H,4-6,9-10H2,1-3H3;6-7,10-14,18H,3-5,8-9H2,1-2H3;4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3;7-12H,1-6H3;6-11,16H,1-5H3.
What are the key properties of 1-tert-butyl-4-(2-tert-butyl-4-propan-2-ylphenyl)pyrazole;8-tert-butyl-4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;N-tert-butyl-N-methyl-3-propan-2-ylindole-1-sulfonamide;N-tert-butyl-3-propan-2-ylindole-1-sulfonamide;4-(2-tert-butyl-4-propan-2-ylphenyl)-1-ethylpyrazole;4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-(2-tert-butyl-4-propan-2-ylphenyl)-1-propan-2-ylpyrrole;8-tert-butyl-1,4,4-trimethyl-2-methylidene-6-propan-2-yl-3H-quinoline;N-cyclohexyl-3-propan-2-ylindole-1-sulfonamide;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole?
1-tert-butyl-4-(2-tert-butyl-4-propan-2-ylphenyl)pyrazole;8-tert-butyl-4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;N-tert-butyl-N-methyl-3-propan-2-ylindole-1-sulfonamide;N-tert-butyl-3-propan-2-ylindole-1-sulfonamide;4-(2-tert-butyl-4-propan-2-ylphenyl)-1-ethylpyrazole;4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-(2-tert-butyl-4-propan-2-ylphenyl)-1-propan-2-ylpyrrole;8-tert-butyl-1,4,4-trimethyl-2-methylidene-6-propan-2-yl-3H-quinoline;N-cyclohexyl-3-propan-2-ylindole-1-sulfonamide;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole has a molecular weight of 4163.33 g/mol, XLogP of 63.06, 37 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-tert-butyl-4-propan-2-ylphenyl)pyrazole;8-tert-butyl-4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;N-tert-butyl-N-methyl-3-propan-2-ylindole-1-sulfonamide;N-tert-butyl-3-propan-2-ylindole-1-sulfonamide;4-(2-tert-butyl-4-propan-2-ylphenyl)-1-ethylpyrazole;4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-(2-tert-butyl-4-propan-2-ylphenyl)-1-propan-2-ylpyrrole;8-tert-butyl-1,4,4-trimethyl-2-methylidene-6-propan-2-yl-3H-quinoline;N-cyclohexyl-3-propan-2-ylindole-1-sulfonamide;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole is sourced from PubChem (CID 158155255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).