4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indazole;5-fluoro-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;6-methyl-7-propan-2-yl-1H-indazole;2-methyl-3-propan-2-yl-1H-indene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-isoindole;7-propan-2-yl-2H-benzotriazol-5-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;5-propan-2-ylimidazo[1,5-a]pyridin-7-ol;8-propan-2-ylimidazo[1,5-a]pyridin-6-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one

C296H347Cl4F3N26O14 — CID 161211878

IUPAC4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indazole;5-fluoro-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;6-methyl-7-propan-2-yl-1H-indazole;2-methyl-3-propan-2-yl-1H-indene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-isoindole;7-propan-2-yl-2H-benzotriazol-5-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;5-propan-2-ylimidazo[1,5-a]pyridin-7-ol;8-propan-2-ylimidazo[1,5-a]pyridin-6-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one
SMILESCC(C)C1=CCc2cc(Cl)ccc21.CC(C)C1=CCc2ccc(Cl)cc21.CC(C)C1=CCc2ccc(F)cc21.CC(C)C1=CCc2cccc(Cl)c21.CC(C)c1c(F)ccc2cn[nH]c12.CC(C)c1cc(=O)cc2[nH]ccn12.CC(C)c1cc(=O)cc2cc[nH]n12.CC(C)c1cc(O)c(F)c2ccccc12.CC(C)c1cc(O)cc2c1CN(C)CC2.CC(C)c1cc(O)cc2c1NC(=O)CC2.CC(C)c1cc(O)cc2cc(Cl)ccc12.CC(C)c1cc(O)cc2cc[nH]c12.CC(C)c1cc(O)cc2cncn12.CC(C)c1cc(O)cc2n[nH]nc12.CC(C)c1cc(O)cc2nonc12.CC(C)c1cc(O)cn2cncc12.CC(C)c1cccc2c1CC(=O)C2.CC(C)c1cccc2ccnnc12.CC(C)c1ccnc2c1C=CC2.CC(C)c1cncc2c1C=CC2.CC(C)c1nccc2c1C=CC2.CC1=C(C(C)C)c2ccccc2C1.Cc1ccc2c(c1C(C)C)C=CC2.Cc1ccc2c(c1C(C)C)C=NC2.Cc1ccc2cn[nH]c2c1C(C)C.Cc1cccc2c1C(C(C)C)=CC2
InChIInChI=1S/C13H13ClO.C13H13FO.C13H19NO.3C13H16.3C12H13Cl.C12H13F.C12H15NO2.C12H15N.C12H14O.C11H14N2.C11H12N2.C11H13NO.3C11H13N.C10H11FN2.4C10H12N2O.C9H11N3O.C9H10N2O2/c1-8(2)13-7-11(15)6-9-5-10(14)3-4-12(9)13;1-8(2)11-7-12(15)13(14)10-6-4-3-5-9(10)11;1-9(2)12-7-11(15)6-10-4-5-14(3)8-13(10)12;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)12-8-7-11-6-4-5-10(3)13(11)12;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-8(2)11-5-3-9-7-10(13)4-6-12(9)11;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)10-7-6-9-4-3-5-11(13)12(9)10;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-7(2)10-6-9(14)5-8-3-4-11(15)13-12(8)10;1-8(2)12-9(3)4-5-10-6-13-7-11(10)12;1-8(2)11-5-3-4-9-6-10(13)7-12(9)11;1-7(2)10-8(3)4-5-9-6-12-13-11(9)10;1-8(2)10-5-3-4-9-6-7-12-13-11(9)10;1-7(2)10-6-9(13)5-8-3-4-12-11(8)10;1-8(2)11-7-12-6-9-4-3-5-10(9)11;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-8(2)11-10-5-3-4-9(10)6-7-12-11;1-6(2)9-8(11)4-3-7-5-12-13-10(7)9;1-7(2)9-3-8(13)5-12-6-11-4-10(9)12;1-7(2)10-4-9(13)3-8-5-11-6-12(8)10;1-7(2)9-5-8(13)6-10-11-3-4-12(9)10;1-7(2)10-6-9(13)5-8-3-4-11-12(8)10;1-5(2)7-3-6(13)4-8-9(7)11-12-10-8;1-5(2)7-3-6(12)4-8-9(7)11-13-10-8/h2*3-8,15H,1-2H3;6-7,9,15H,4-5,8H2,1-3H3;4,6-9H,5H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-7,9H,8H2,1-3H3;4-8H,3H2,1-2H3;3,5-8H,4H2,1-2H3;3-5,7-8H,6H2,1-2H3;3,5-8H,4H2,1-2H3;5-7,14H,3-4H2,1-2H3,(H,13,15);4-5,7-8H,6H2,1-3H3;3-5,8H,6-7H2,1-2H3;4-7H,1-3H3,(H,12,13);3-8H,1-2H3;3-7,12-13H,1-2H3;3,5-8H,4H2,1-2H3;3-4,6-8H,5H2,1-2H3;3,5-8H,4H2,1-2H3;3-6H,1-2H3,(H,12,13);2*3-7,13H,1-2H3;2*3-7,11H,1-2H3;3-5,13H,1-2H3,(H,10,11,12);3-5,12H,1-2H3
InChIKeyRTVUKTASHHGIRE-UHFFFAOYSA-N
MW4692.01 g/mol
LogP76.30
Rot. Bonds26

About 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indazole;5-fluoro-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;6-methyl-7-propan-2-yl-1H-indazole;2-methyl-3-propan-2-yl-1H-indene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-isoindole;7-propan-2-yl-2H-benzotriazol-5-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;5-propan-2-ylimidazo[1,5-a]pyridin-7-ol;8-propan-2-ylimidazo[1,5-a]pyridin-6-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one

4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indazole;5-fluoro-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;6-methyl-7-propan-2-yl-1H-indazole;2-methyl-3-propan-2-yl-1H-indene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-isoindole;7-propan-2-yl-2H-benzotriazol-5-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;5-propan-2-ylimidazo[1,5-a]pyridin-7-ol;8-propan-2-ylimidazo[1,5-a]pyridin-6-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one (PubChem CID 161211878) has the molecular formula C296H347Cl4F3N26O14 and a molecular weight of 4692.01 g/mol. Its IUPAC name is 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indazole;5-fluoro-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;6-methyl-7-propan-2-yl-1H-indazole;2-methyl-3-propan-2-yl-1H-indene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-isoindole;7-propan-2-yl-2H-benzotriazol-5-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;5-propan-2-ylimidazo[1,5-a]pyridin-7-ol;8-propan-2-ylimidazo[1,5-a]pyridin-6-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indazole;5-fluoro-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;6-methyl-7-propan-2-yl-1H-indazole;2-methyl-3-propan-2-yl-1H-indene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-isoindole;7-propan-2-yl-2H-benzotriazol-5-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;5-propan-2-ylimidazo[1,5-a]pyridin-7-ol;8-propan-2-ylimidazo[1,5-a]pyridin-6-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one
PubChem CID161211878
Molecular FormulaC296H347Cl4F3N26O14
Molecular Weight4692.01 g/mol
Exact Mass4686.59
IUPAC Name4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indazole;5-fluoro-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;6-methyl-7-propan-2-yl-1H-indazole;2-methyl-3-propan-2-yl-1H-indene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-isoindole;7-propan-2-yl-2H-benzotriazol-5-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;5-propan-2-ylimidazo[1,5-a]pyridin-7-ol;8-propan-2-ylimidazo[1,5-a]pyridin-6-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one
SMILESCC(C)C1=CCc2cc(Cl)ccc21.CC(C)C1=CCc2ccc(Cl)cc21.CC(C)C1=CCc2ccc(F)cc21.CC(C)C1=CCc2cccc(Cl)c21.CC(C)c1c(F)ccc2cn[nH]c12.CC(C)c1cc(=O)cc2[nH]ccn12.CC(C)c1cc(=O)cc2cc[nH]n12.CC(C)c1cc(O)c(F)c2ccccc12.CC(C)c1cc(O)cc2c1CN(C)CC2.CC(C)c1cc(O)cc2c1NC(=O)CC2.CC(C)c1cc(O)cc2cc(Cl)ccc12.CC(C)c1cc(O)cc2cc[nH]c12.CC(C)c1cc(O)cc2cncn12.CC(C)c1cc(O)cc2n[nH]nc12.CC(C)c1cc(O)cc2nonc12.CC(C)c1cc(O)cn2cncc12.CC(C)c1cccc2c1CC(=O)C2.CC(C)c1cccc2ccnnc12.CC(C)c1ccnc2c1C=CC2.CC(C)c1cncc2c1C=CC2.CC(C)c1nccc2c1C=CC2.CC1=C(C(C)C)c2ccccc2C1.Cc1ccc2c(c1C(C)C)C=CC2.Cc1ccc2c(c1C(C)C)C=NC2.Cc1ccc2cn[nH]c2c1C(C)C.Cc1cccc2c1C(C(C)C)=CC2
InChIInChI=1S/C13H13ClO.C13H13FO.C13H19NO.3C13H16.3C12H13Cl.C12H13F.C12H15NO2.C12H15N.C12H14O.C11H14N2.C11H12N2.C11H13NO.3C11H13N.C10H11FN2.4C10H12N2O.C9H11N3O.C9H10N2O2/c1-8(2)13-7-11(15)6-9-5-10(14)3-4-12(9)13;1-8(2)11-7-12(15)13(14)10-6-4-3-5-9(10)11;1-9(2)12-7-11(15)6-10-4-5-14(3)8-13(10)12;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)12-8-7-11-6-4-5-10(3)13(11)12;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-8(2)11-5-3-9-7-10(13)4-6-12(9)11;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)10-7-6-9-4-3-5-11(13)12(9)10;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-7(2)10-6-9(14)5-8-3-4-11(15)13-12(8)10;1-8(2)12-9(3)4-5-10-6-13-7-11(10)12;1-8(2)11-5-3-4-9-6-10(13)7-12(9)11;1-7(2)10-8(3)4-5-9-6-12-13-11(9)10;1-8(2)10-5-3-4-9-6-7-12-13-11(9)10;1-7(2)10-6-9(13)5-8-3-4-12-11(8)10;1-8(2)11-7-12-6-9-4-3-5-10(9)11;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-8(2)11-10-5-3-4-9(10)6-7-12-11;1-6(2)9-8(11)4-3-7-5-12-13-10(7)9;1-7(2)9-3-8(13)5-12-6-11-4-10(9)12;1-7(2)10-4-9(13)3-8-5-11-6-12(8)10;1-7(2)9-5-8(13)6-10-11-3-4-12(9)10;1-7(2)10-6-9(13)5-8-3-4-11-12(8)10;1-5(2)7-3-6(13)4-8-9(7)11-12-10-8;1-5(2)7-3-6(12)4-8-9(7)11-13-10-8/h2*3-8,15H,1-2H3;6-7,9,15H,4-5,8H2,1-3H3;4,6-9H,5H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-7,9H,8H2,1-3H3;4-8H,3H2,1-2H3;3,5-8H,4H2,1-2H3;3-5,7-8H,6H2,1-2H3;3,5-8H,4H2,1-2H3;5-7,14H,3-4H2,1-2H3,(H,13,15);4-5,7-8H,6H2,1-3H3;3-5,8H,6-7H2,1-2H3;4-7H,1-3H3,(H,12,13);3-8H,1-2H3;3-7,12-13H,1-2H3;3,5-8H,4H2,1-2H3;3-4,6-8H,5H2,1-2H3;3,5-8H,4H2,1-2H3;3-6H,1-2H3,(H,12,13);2*3-7,13H,1-2H3;2*3-7,11H,1-2H3;3-5,13H,1-2H3,(H,10,11,12);3-5,12H,1-2H3
InChIKeyRTVUKTASHHGIRE-UHFFFAOYSA-N
XLogP76.30
TPSA571.07 Ų
H-Bond Donors16
H-Bond Acceptors33
Rotatable Bonds26
Heavy Atoms343
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004692.01
LogP ≤ 576.30
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1033

Analyze 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indazole;5-fluoro-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;6-methyl-7-propan-2-yl-1H-indazole;2-methyl-3-propan-2-yl-1H-indene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-isoindole;7-propan-2-yl-2H-benzotriazol-5-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;5-propan-2-ylimidazo[1,5-a]pyridin-7-ol;8-propan-2-ylimidazo[1,5-a]pyridin-6-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indazole;5-fluoro-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;6-methyl-7-propan-2-yl-1H-indazole;2-methyl-3-propan-2-yl-1H-indene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-isoindole;7-propan-2-yl-2H-benzotriazol-5-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;5-propan-2-ylimidazo[1,5-a]pyridin-7-ol;8-propan-2-ylimidazo[1,5-a]pyridin-6-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one?
The IUPAC name of 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indazole;5-fluoro-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;6-methyl-7-propan-2-yl-1H-indazole;2-methyl-3-propan-2-yl-1H-indene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-isoindole;7-propan-2-yl-2H-benzotriazol-5-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;5-propan-2-ylimidazo[1,5-a]pyridin-7-ol;8-propan-2-ylimidazo[1,5-a]pyridin-6-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one (CID 161211878) is 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indazole;5-fluoro-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;6-methyl-7-propan-2-yl-1H-indazole;2-methyl-3-propan-2-yl-1H-indene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-isoindole;7-propan-2-yl-2H-benzotriazol-5-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;5-propan-2-ylimidazo[1,5-a]pyridin-7-ol;8-propan-2-ylimidazo[1,5-a]pyridin-6-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indazole;5-fluoro-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;6-methyl-7-propan-2-yl-1H-indazole;2-methyl-3-propan-2-yl-1H-indene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-isoindole;7-propan-2-yl-2H-benzotriazol-5-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;5-propan-2-ylimidazo[1,5-a]pyridin-7-ol;8-propan-2-ylimidazo[1,5-a]pyridin-6-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indazole;5-fluoro-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;6-methyl-7-propan-2-yl-1H-indazole;2-methyl-3-propan-2-yl-1H-indene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-isoindole;7-propan-2-yl-2H-benzotriazol-5-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;5-propan-2-ylimidazo[1,5-a]pyridin-7-ol;8-propan-2-ylimidazo[1,5-a]pyridin-6-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one is CC(C)C1=CCc2cc(Cl)ccc21.CC(C)C1=CCc2ccc(Cl)cc21.CC(C)C1=CCc2ccc(F)cc21.CC(C)C1=CCc2cccc(Cl)c21.CC(C)c1c(F)ccc2cn[nH]c12.CC(C)c1cc(=O)cc2[nH]ccn12.CC(C)c1cc(=O)cc2cc[nH]n12.CC(C)c1cc(O)c(F)c2ccccc12.CC(C)c1cc(O)cc2c1CN(C)CC2.CC(C)c1cc(O)cc2c1NC(=O)CC2.CC(C)c1cc(O)cc2cc(Cl)ccc12.CC(C)c1cc(O)cc2cc[nH]c12.CC(C)c1cc(O)cc2cncn12.CC(C)c1cc(O)cc2n[nH]nc12.CC(C)c1cc(O)cc2nonc12.CC(C)c1cc(O)cn2cncc12.CC(C)c1cccc2c1CC(=O)C2.CC(C)c1cccc2ccnnc12.CC(C)c1ccnc2c1C=CC2.CC(C)c1cncc2c1C=CC2.CC(C)c1nccc2c1C=CC2.CC1=C(C(C)C)c2ccccc2C1.Cc1ccc2c(c1C(C)C)C=CC2.Cc1ccc2c(c1C(C)C)C=NC2.Cc1ccc2cn[nH]c2c1C(C)C.Cc1cccc2c1C(C(C)C)=CC2.
What is the InChIKey of 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indazole;5-fluoro-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;6-methyl-7-propan-2-yl-1H-indazole;2-methyl-3-propan-2-yl-1H-indene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-isoindole;7-propan-2-yl-2H-benzotriazol-5-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;5-propan-2-ylimidazo[1,5-a]pyridin-7-ol;8-propan-2-ylimidazo[1,5-a]pyridin-6-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one?
The InChIKey is RTVUKTASHHGIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO.C13H13FO.C13H19NO.3C13H16.3C12H13Cl.C12H13F.C12H15NO2.C12H15N.C12H14O.C11H14N2.C11H12N2.C11H13NO.3C11H13N.C10H11FN2.4C10H12N2O.C9H11N3O.C9H10N2O2/c1-8(2)13-7-11(15)6-9-5-10(14)3-4-12(9)13;1-8(2)11-7-12(15)13(14)10-6-4-3-5-9(10)11;1-9(2)12-7-11(15)6-10-4-5-14(3)8-13(10)12;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)12-8-7-11-6-4-5-10(3)13(11)12;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-8(2)11-5-3-9-7-10(13)4-6-12(9)11;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)10-7-6-9-4-3-5-11(13)12(9)10;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-7(2)10-6-9(14)5-8-3-4-11(15)13-12(8)10;1-8(2)12-9(3)4-5-10-6-13-7-11(10)12;1-8(2)11-5-3-4-9-6-10(13)7-12(9)11;1-7(2)10-8(3)4-5-9-6-12-13-11(9)10;1-8(2)10-5-3-4-9-6-7-12-13-11(9)10;1-7(2)10-6-9(13)5-8-3-4-12-11(8)10;1-8(2)11-7-12-6-9-4-3-5-10(9)11;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-8(2)11-10-5-3-4-9(10)6-7-12-11;1-6(2)9-8(11)4-3-7-5-12-13-10(7)9;1-7(2)9-3-8(13)5-12-6-11-4-10(9)12;1-7(2)10-4-9(13)3-8-5-11-6-12(8)10;1-7(2)9-5-8(13)6-10-11-3-4-12(9)10;1-7(2)10-6-9(13)5-8-3-4-11-12(8)10;1-5(2)7-3-6(13)4-8-9(7)11-12-10-8;1-5(2)7-3-6(12)4-8-9(7)11-13-10-8/h2*3-8,15H,1-2H3;6-7,9,15H,4-5,8H2,1-3H3;4,6-9H,5H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-7,9H,8H2,1-3H3;4-8H,3H2,1-2H3;3,5-8H,4H2,1-2H3;3-5,7-8H,6H2,1-2H3;3,5-8H,4H2,1-2H3;5-7,14H,3-4H2,1-2H3,(H,13,15);4-5,7-8H,6H2,1-3H3;3-5,8H,6-7H2,1-2H3;4-7H,1-3H3,(H,12,13);3-8H,1-2H3;3-7,12-13H,1-2H3;3,5-8H,4H2,1-2H3;3-4,6-8H,5H2,1-2H3;3,5-8H,4H2,1-2H3;3-6H,1-2H3,(H,12,13);2*3-7,13H,1-2H3;2*3-7,11H,1-2H3;3-5,13H,1-2H3,(H,10,11,12);3-5,12H,1-2H3.
What are the key properties of 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indazole;5-fluoro-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;6-methyl-7-propan-2-yl-1H-indazole;2-methyl-3-propan-2-yl-1H-indene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-isoindole;7-propan-2-yl-2H-benzotriazol-5-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;5-propan-2-ylimidazo[1,5-a]pyridin-7-ol;8-propan-2-ylimidazo[1,5-a]pyridin-6-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one?
4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indazole;5-fluoro-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;6-methyl-7-propan-2-yl-1H-indazole;2-methyl-3-propan-2-yl-1H-indene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-isoindole;7-propan-2-yl-2H-benzotriazol-5-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;5-propan-2-ylimidazo[1,5-a]pyridin-7-ol;8-propan-2-ylimidazo[1,5-a]pyridin-6-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one has a molecular weight of 4692.01 g/mol, XLogP of 76.30, 26 rotatable bonds, 16 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indazole;5-fluoro-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;6-methyl-7-propan-2-yl-1H-indazole;2-methyl-3-propan-2-yl-1H-indene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-isoindole;7-propan-2-yl-2H-benzotriazol-5-ol;4-propan-2-yl-2,1,3-benzoxadiazol-6-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;5-propan-2-ylimidazo[1,5-a]pyridin-7-ol;8-propan-2-ylimidazo[1,5-a]pyridin-6-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 161211878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).