3-amino-1-tert-butylpyridin-2-one;1-tert-butylbenzimidazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-3,6-dimethyl-2H-indazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1H-indazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;1-tert-butylimidazole;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;bis(4-tert-butyl-5-methyl-1H-benzimidazole);4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carboxamide;3-tert-butyl-2-methyl-1H-indole;3-tert-butyl-4-methyl-1H-indole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;2-(4-tert-butylpyrazol-1-yl)ethanol;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine

C286H384ClF3N44O3 — CID 165100819

IUPAC3-amino-1-tert-butylpyridin-2-one;1-tert-butylbenzimidazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-3,6-dimethyl-2H-indazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1H-indazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;1-tert-butylimidazole;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;bis(4-tert-butyl-5-methyl-1H-benzimidazole);4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carboxamide;3-tert-butyl-2-methyl-1H-indole;3-tert-butyl-4-methyl-1H-indole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;2-(4-tert-butylpyrazol-1-yl)ethanol;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine
SMILESCC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1c(Cl)ccc2[nH]ncc12.CC(C)(C)c1c(F)ccc2cn[nH]c12.CC(C)(C)c1c[nH]c2c(F)cccc12.CC(C)(C)c1c[nH]c2cccc(F)c12.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc(N)n1.CC(C)(C)c1cnn(CCO)c1.CC(C)(C)n1cccc(N)c1=O.CC(C)(C)n1ccnc1.CC(C)(C)n1cnc2ccccc21.Cc1[nH]c2ccccc2c1C(C)(C)C.Cc1ccc2[nH]cc(C)c2c1C(C)(C)C.Cc1ccc2[nH]ccc2c1C(C)(C)C.Cc1ccc2[nH]cnc2c1C(C)(C)C.Cc1ccc2[nH]cnc2c1C(C)(C)C.Cc1ccc2[nH]nc(C(N)=O)c2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2c(C)[nH]nc2c1C(C)(C)C.Cc1ccc2cc[nH]c2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]nc2c1C(C)(C)C.Cc1cccc2[nH]cc(C(C)(C)C)c12
InChIInChI=1S/C14H19N.C13H17N3O.2C13H18N2.4C13H17N.2C12H14FN.4C12H16N2.C12H15N.C11H13ClN2.C11H13FN2.C11H15N3.2C11H14N2.C9H16N2O.C9H14N2O.C9H13N.C8H13N3.C7H12N2/c1-9-6-7-11-12(10(2)8-15-11)13(9)14(3,4)5;1-7-5-6-8-9(10(7)13(2,3)4)11(12(14)17)16-15-8;1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-8-6-7-10-9(2)14-15-12(10)11(8)13(3,4)5;1-9-5-6-11-10(7-8-14-11)12(9)13(2,3)4;1-9-5-6-10-7-8-14-12(10)11(9)13(2,3)4;1-9-6-5-7-11-12(9)10(8-14-11)13(2,3)4;1-9-12(13(2,3)4)10-7-5-6-8-11(10)14-9;1-12(2,3)8-7-14-10-6-4-5-9(13)11(8)10;1-12(2,3)9-7-14-11-8(9)5-4-6-10(11)13;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;2*1-8-5-6-9-11(14-7-13-9)10(8)12(2,3)4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)10-7-6-13-14-9(7)5-4-8(10)12;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9;1-7-5-6-8-10(13-14-12-8)9(7)11(2,3)4;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-9(2,3)8-6-10-11(7-8)4-5-12;1-9(2,3)11-6-4-5-7(10)8(11)12;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)6-4-5-10-7(9)11-6;1-7(2,3)9-5-4-8-6-9/h6-8,15H,1-5H3;5-6H,1-4H3,(H2,14,17)(H,15,16);2*6-7H,1-5H3,(H,14,15);4*5-8,14H,1-4H3;2*4-7,14H,1-3H3;4*5-7H,1-4H3,(H,13,14);4-8,13H,1-3H3;2*4-6H,1-3H3,(H,13,14);5-6H,1-4H3,(H,12,13,14);4-8H,1-3H3;4-7H,1-3H3,(H,12,13);6-7,12H,4-5H2,1-3H3;4-6H,10H2,1-3H3;4-7H,1-3H3;4-5H,1-3H3,(H2,9,10,11);4-6H,1-3H3
InChIKeyYHDFLLQAVTWWFX-UHFFFAOYSA-N
MW4578.97 g/mol
LogP74.21
Rot. Bonds3

About 3-amino-1-tert-butylpyridin-2-one;1-tert-butylbenzimidazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-3,6-dimethyl-2H-indazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1H-indazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;1-tert-butylimidazole;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;bis(4-tert-butyl-5-methyl-1H-benzimidazole);4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carboxamide;3-tert-butyl-2-methyl-1H-indole;3-tert-butyl-4-methyl-1H-indole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;2-(4-tert-butylpyrazol-1-yl)ethanol;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine

3-amino-1-tert-butylpyridin-2-one;1-tert-butylbenzimidazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-3,6-dimethyl-2H-indazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1H-indazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;1-tert-butylimidazole;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;bis(4-tert-butyl-5-methyl-1H-benzimidazole);4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carboxamide;3-tert-butyl-2-methyl-1H-indole;3-tert-butyl-4-methyl-1H-indole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;2-(4-tert-butylpyrazol-1-yl)ethanol;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine (PubChem CID 165100819) has the molecular formula C286H384ClF3N44O3 and a molecular weight of 4578.97 g/mol. Its IUPAC name is 3-amino-1-tert-butylpyridin-2-one;1-tert-butylbenzimidazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-3,6-dimethyl-2H-indazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1H-indazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;1-tert-butylimidazole;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;bis(4-tert-butyl-5-methyl-1H-benzimidazole);4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carboxamide;3-tert-butyl-2-methyl-1H-indole;3-tert-butyl-4-methyl-1H-indole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;2-(4-tert-butylpyrazol-1-yl)ethanol;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine.

Molecular Properties

Compound Name3-amino-1-tert-butylpyridin-2-one;1-tert-butylbenzimidazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-3,6-dimethyl-2H-indazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1H-indazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;1-tert-butylimidazole;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;bis(4-tert-butyl-5-methyl-1H-benzimidazole);4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carboxamide;3-tert-butyl-2-methyl-1H-indole;3-tert-butyl-4-methyl-1H-indole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;2-(4-tert-butylpyrazol-1-yl)ethanol;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine
PubChem CID165100819
Molecular FormulaC286H384ClF3N44O3
Molecular Weight4578.97 g/mol
Exact Mass4575.09
IUPAC Name3-amino-1-tert-butylpyridin-2-one;1-tert-butylbenzimidazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-3,6-dimethyl-2H-indazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1H-indazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;1-tert-butylimidazole;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;bis(4-tert-butyl-5-methyl-1H-benzimidazole);4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carboxamide;3-tert-butyl-2-methyl-1H-indole;3-tert-butyl-4-methyl-1H-indole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;2-(4-tert-butylpyrazol-1-yl)ethanol;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine
SMILESCC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1c(Cl)ccc2[nH]ncc12.CC(C)(C)c1c(F)ccc2cn[nH]c12.CC(C)(C)c1c[nH]c2c(F)cccc12.CC(C)(C)c1c[nH]c2cccc(F)c12.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc(N)n1.CC(C)(C)c1cnn(CCO)c1.CC(C)(C)n1cccc(N)c1=O.CC(C)(C)n1ccnc1.CC(C)(C)n1cnc2ccccc21.Cc1[nH]c2ccccc2c1C(C)(C)C.Cc1ccc2[nH]cc(C)c2c1C(C)(C)C.Cc1ccc2[nH]ccc2c1C(C)(C)C.Cc1ccc2[nH]cnc2c1C(C)(C)C.Cc1ccc2[nH]cnc2c1C(C)(C)C.Cc1ccc2[nH]nc(C(N)=O)c2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2c(C)[nH]nc2c1C(C)(C)C.Cc1ccc2cc[nH]c2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]nc2c1C(C)(C)C.Cc1cccc2[nH]cc(C(C)(C)C)c12
InChIInChI=1S/C14H19N.C13H17N3O.2C13H18N2.4C13H17N.2C12H14FN.4C12H16N2.C12H15N.C11H13ClN2.C11H13FN2.C11H15N3.2C11H14N2.C9H16N2O.C9H14N2O.C9H13N.C8H13N3.C7H12N2/c1-9-6-7-11-12(10(2)8-15-11)13(9)14(3,4)5;1-7-5-6-8-9(10(7)13(2,3)4)11(12(14)17)16-15-8;1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-8-6-7-10-9(2)14-15-12(10)11(8)13(3,4)5;1-9-5-6-11-10(7-8-14-11)12(9)13(2,3)4;1-9-5-6-10-7-8-14-12(10)11(9)13(2,3)4;1-9-6-5-7-11-12(9)10(8-14-11)13(2,3)4;1-9-12(13(2,3)4)10-7-5-6-8-11(10)14-9;1-12(2,3)8-7-14-10-6-4-5-9(13)11(8)10;1-12(2,3)9-7-14-11-8(9)5-4-6-10(11)13;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;2*1-8-5-6-9-11(14-7-13-9)10(8)12(2,3)4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)10-7-6-13-14-9(7)5-4-8(10)12;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9;1-7-5-6-8-10(13-14-12-8)9(7)11(2,3)4;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-9(2,3)8-6-10-11(7-8)4-5-12;1-9(2,3)11-6-4-5-7(10)8(11)12;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)6-4-5-10-7(9)11-6;1-7(2,3)9-5-4-8-6-9/h6-8,15H,1-5H3;5-6H,1-4H3,(H2,14,17)(H,15,16);2*6-7H,1-5H3,(H,14,15);4*5-8,14H,1-4H3;2*4-7,14H,1-3H3;4*5-7H,1-4H3,(H,13,14);4-8,13H,1-3H3;2*4-6H,1-3H3,(H,13,14);5-6H,1-4H3,(H,12,13,14);4-8H,1-3H3;4-7H,1-3H3,(H,12,13);6-7,12H,4-5H2,1-3H3;4-6H,10H2,1-3H3;4-7H,1-3H3;4-5H,1-3H3,(H2,9,10,11);4-6H,1-3H3
InChIKeyYHDFLLQAVTWWFX-UHFFFAOYSA-N
XLogP74.21
TPSA684.18 Ų
H-Bond Donors23
H-Bond Acceptors27
Rotatable Bonds3
Heavy Atoms337
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004578.97
LogP ≤ 574.21
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1027

Analyze 3-amino-1-tert-butylpyridin-2-one;1-tert-butylbenzimidazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-3,6-dimethyl-2H-indazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1H-indazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;1-tert-butylimidazole;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;bis(4-tert-butyl-5-methyl-1H-benzimidazole);4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carboxamide;3-tert-butyl-2-methyl-1H-indole;3-tert-butyl-4-methyl-1H-indole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;2-(4-tert-butylpyrazol-1-yl)ethanol;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]phenyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 144667648
6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;3-tert-butylisoquinoline;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole
CID 157117170
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylisoindol-2-yl)pentan-2-one;3-[2-[(2R)-5-[6-(aminomethyl)-1H-indol-3-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-1-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-(5,6-dimethylbenzimidazol-1-yl)butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-7-methyl-4-oxo-5-[3-(trifluoromethyl)pyrazol-1-yl]octan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157158955
(5-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5,6-difluoro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(7-methyl-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;2H-pyrazolo[3,4-b]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[3,2-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[2,3-c]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157188127
N-[2-(azepan-1-yl)ethyl]-N-(1H-benzimidazol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(3-fluoro-1H-inden-4-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 158493278
1-[(2-amino-5-chlorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[2-(aminomethyl)-5-chlorophenyl]methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;3-[[[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamoylamino]methyl]benzamide;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]urea;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]urea
CID 159886289
N-(1H-benzimidazol-4-ylmethyl)-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chloro-4-methylphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(diethylamino)ethyl]-N-(1H-inden-4-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide;N-(1H-inden-4-ylmethyl)-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 160831120
4-amino-N-[(1S,3R)-3-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]benzamide;1-(4-amino-3-fluorophenyl)-2-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;1-(4-aminophenyl)-2-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-1-methylcyclohexyl]ethanone;3-chloro-4-[[4-(dimethylamino)-3-hydroxybutanoyl]amino]-N-[(1S,3R)-3-[[4-(1H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]benzamide;cis-(1S,3R)-1-N-[(1R)-1-(4-aminophenyl)-2,2,2-trifluoroethyl]-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine;1-(4-ethyl-3-fluorophenyl)-2-[(1S,3R)-1-methyl-3-[[4-(7-methyl-2H-indazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexyl]ethanone
CID 161014290
6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;3-propan-2-ylisoquinoline
CID 161516062
(Z)-2-amino-1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(3-methylphenyl)prop-2-en-1-one;(5-chloro-1H-indol-2-yl)-[4-[[4-(1,1-difluoroethyl)phenyl]methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenyl)piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone;(5-chloro-1H-indol-2-yl)-(1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl)methanone;[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 161765716
6-tert-butyl-5-chloro-1-methyl-2,3-dihydroindole;3-tert-butyl-2-chloro-N-methyl-N-propan-2-ylaniline;1-(4-tert-butyl-3,3-difluoro-2H-indol-1-yl)ethanone;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine
CID 163647076
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-6-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4-difluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trifluorobenzamide;2,6-difluoro-N-[5-[6-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 157570464

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-tert-butylpyridin-2-one;1-tert-butylbenzimidazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-3,6-dimethyl-2H-indazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1H-indazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;1-tert-butylimidazole;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;bis(4-tert-butyl-5-methyl-1H-benzimidazole);4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carboxamide;3-tert-butyl-2-methyl-1H-indole;3-tert-butyl-4-methyl-1H-indole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;2-(4-tert-butylpyrazol-1-yl)ethanol;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine?
The IUPAC name of 3-amino-1-tert-butylpyridin-2-one;1-tert-butylbenzimidazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-3,6-dimethyl-2H-indazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1H-indazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;1-tert-butylimidazole;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;bis(4-tert-butyl-5-methyl-1H-benzimidazole);4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carboxamide;3-tert-butyl-2-methyl-1H-indole;3-tert-butyl-4-methyl-1H-indole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;2-(4-tert-butylpyrazol-1-yl)ethanol;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine (CID 165100819) is 3-amino-1-tert-butylpyridin-2-one;1-tert-butylbenzimidazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-3,6-dimethyl-2H-indazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1H-indazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;1-tert-butylimidazole;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;bis(4-tert-butyl-5-methyl-1H-benzimidazole);4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carboxamide;3-tert-butyl-2-methyl-1H-indole;3-tert-butyl-4-methyl-1H-indole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;2-(4-tert-butylpyrazol-1-yl)ethanol;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine.
What is the SMILES notation for 3-amino-1-tert-butylpyridin-2-one;1-tert-butylbenzimidazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-3,6-dimethyl-2H-indazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1H-indazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;1-tert-butylimidazole;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;bis(4-tert-butyl-5-methyl-1H-benzimidazole);4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carboxamide;3-tert-butyl-2-methyl-1H-indole;3-tert-butyl-4-methyl-1H-indole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;2-(4-tert-butylpyrazol-1-yl)ethanol;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine?
The canonical SMILES for 3-amino-1-tert-butylpyridin-2-one;1-tert-butylbenzimidazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-3,6-dimethyl-2H-indazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1H-indazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;1-tert-butylimidazole;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;bis(4-tert-butyl-5-methyl-1H-benzimidazole);4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carboxamide;3-tert-butyl-2-methyl-1H-indole;3-tert-butyl-4-methyl-1H-indole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;2-(4-tert-butylpyrazol-1-yl)ethanol;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine is CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1c(Cl)ccc2[nH]ncc12.CC(C)(C)c1c(F)ccc2cn[nH]c12.CC(C)(C)c1c[nH]c2c(F)cccc12.CC(C)(C)c1c[nH]c2cccc(F)c12.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc(N)n1.CC(C)(C)c1cnn(CCO)c1.CC(C)(C)n1cccc(N)c1=O.CC(C)(C)n1ccnc1.CC(C)(C)n1cnc2ccccc21.Cc1[nH]c2ccccc2c1C(C)(C)C.Cc1ccc2[nH]cc(C)c2c1C(C)(C)C.Cc1ccc2[nH]ccc2c1C(C)(C)C.Cc1ccc2[nH]cnc2c1C(C)(C)C.Cc1ccc2[nH]cnc2c1C(C)(C)C.Cc1ccc2[nH]nc(C(N)=O)c2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2c(C)[nH]nc2c1C(C)(C)C.Cc1ccc2cc[nH]c2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]nc2c1C(C)(C)C.Cc1cccc2[nH]cc(C(C)(C)C)c12.
What is the InChIKey of 3-amino-1-tert-butylpyridin-2-one;1-tert-butylbenzimidazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-3,6-dimethyl-2H-indazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1H-indazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;1-tert-butylimidazole;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;bis(4-tert-butyl-5-methyl-1H-benzimidazole);4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carboxamide;3-tert-butyl-2-methyl-1H-indole;3-tert-butyl-4-methyl-1H-indole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;2-(4-tert-butylpyrazol-1-yl)ethanol;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine?
The InChIKey is YHDFLLQAVTWWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N.C13H17N3O.2C13H18N2.4C13H17N.2C12H14FN.4C12H16N2.C12H15N.C11H13ClN2.C11H13FN2.C11H15N3.2C11H14N2.C9H16N2O.C9H14N2O.C9H13N.C8H13N3.C7H12N2/c1-9-6-7-11-12(10(2)8-15-11)13(9)14(3,4)5;1-7-5-6-8-9(10(7)13(2,3)4)11(12(14)17)16-15-8;1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-8-6-7-10-9(2)14-15-12(10)11(8)13(3,4)5;1-9-5-6-11-10(7-8-14-11)12(9)13(2,3)4;1-9-5-6-10-7-8-14-12(10)11(9)13(2,3)4;1-9-6-5-7-11-12(9)10(8-14-11)13(2,3)4;1-9-12(13(2,3)4)10-7-5-6-8-11(10)14-9;1-12(2,3)8-7-14-10-6-4-5-9(13)11(8)10;1-12(2,3)9-7-14-11-8(9)5-4-6-10(11)13;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;2*1-8-5-6-9-11(14-7-13-9)10(8)12(2,3)4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)10-7-6-13-14-9(7)5-4-8(10)12;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9;1-7-5-6-8-10(13-14-12-8)9(7)11(2,3)4;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-9(2,3)8-6-10-11(7-8)4-5-12;1-9(2,3)11-6-4-5-7(10)8(11)12;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)6-4-5-10-7(9)11-6;1-7(2,3)9-5-4-8-6-9/h6-8,15H,1-5H3;5-6H,1-4H3,(H2,14,17)(H,15,16);2*6-7H,1-5H3,(H,14,15);4*5-8,14H,1-4H3;2*4-7,14H,1-3H3;4*5-7H,1-4H3,(H,13,14);4-8,13H,1-3H3;2*4-6H,1-3H3,(H,13,14);5-6H,1-4H3,(H,12,13,14);4-8H,1-3H3;4-7H,1-3H3,(H,12,13);6-7,12H,4-5H2,1-3H3;4-6H,10H2,1-3H3;4-7H,1-3H3;4-5H,1-3H3,(H2,9,10,11);4-6H,1-3H3.
What are the key properties of 3-amino-1-tert-butylpyridin-2-one;1-tert-butylbenzimidazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-3,6-dimethyl-2H-indazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1H-indazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;1-tert-butylimidazole;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;bis(4-tert-butyl-5-methyl-1H-benzimidazole);4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carboxamide;3-tert-butyl-2-methyl-1H-indole;3-tert-butyl-4-methyl-1H-indole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;2-(4-tert-butylpyrazol-1-yl)ethanol;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine?
3-amino-1-tert-butylpyridin-2-one;1-tert-butylbenzimidazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-3,6-dimethyl-2H-indazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1H-indazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;1-tert-butylimidazole;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;bis(4-tert-butyl-5-methyl-1H-benzimidazole);4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carboxamide;3-tert-butyl-2-methyl-1H-indole;3-tert-butyl-4-methyl-1H-indole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;2-(4-tert-butylpyrazol-1-yl)ethanol;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine has a molecular weight of 4578.97 g/mol, XLogP of 74.21, 3 rotatable bonds, 23 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-tert-butylpyridin-2-one;1-tert-butylbenzimidazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-3,6-dimethyl-2H-indazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1H-indazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;1-tert-butylimidazole;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;bis(4-tert-butyl-5-methyl-1H-benzimidazole);4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carboxamide;3-tert-butyl-2-methyl-1H-indole;3-tert-butyl-4-methyl-1H-indole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;2-(4-tert-butylpyrazol-1-yl)ethanol;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine is sourced from PubChem (CID 165100819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).