1-[3-[4-chloro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[5-(5-methyl-1H-indazol-4-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one

C207H178ClF10N27O15 — CID 165075167

IUPAC1-[3-[4-chloro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[5-(5-methyl-1H-indazol-4-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CC(n2cc(C(F)(F)F)c3cc(-c4c(C)ccc5[nH]ncc45)ccc32)C1.C=CC(=O)N1CC(n2cc(C(F)(F)F)c3cc(-c4cc(O)cc5ccccc45)ccc32)C1.C=CC(=O)N1CC(n2cc(F)c3cc(-c4c(C)ccc5[nH]ncc45)ccc32)C1.C=CC(=O)N1CC(n2cc(F)c3cc(-c4cc(O)cc5ccccc45)ccc32)C1.C=CC(=O)N1CC(n2ccc3c(Cl)c(-c4c(C)ccc5[nH]ncc45)ccc32)C1.C=CC(=O)N1CC(n2cnc3ccc(-c4c(O)cccc4F)cc32)C1.C=CC(=O)N1CCC(n2cnc3cc(-c4c(O)cccc4F)ccc32)CC1.C=CC(=O)N1CCC(n2cnc3cc(-c4cc(O)cc5ccccc45)ccc32)CC1.C=CC(=O)N1CCCC(n2ccc3ccc(-c4cc(O)cc5ccccc45)cc32)C1
InChIInChI=1S/C26H24N2O2.C25H19F3N2O2.C25H23N3O2.C24H19FN2O2.C23H19F3N4O.C22H19ClN4O.C22H19FN4O.C21H20FN3O2.C19H16FN3O2/c1-2-26(30)27-12-5-7-21(17-27)28-13-11-18-9-10-20(15-25(18)28)24-16-22(29)14-19-6-3-4-8-23(19)24;1-2-24(32)29-12-17(13-29)30-14-22(25(26,27)28)21-10-16(7-8-23(21)30)20-11-18(31)9-15-5-3-4-6-19(15)20;1-2-25(30)27-11-9-19(10-12-27)28-16-26-23-14-18(7-8-24(23)28)22-15-20(29)13-17-5-3-4-6-21(17)22;1-2-24(29)26-12-17(13-26)27-14-22(25)21-10-16(7-8-23(21)27)20-11-18(28)9-15-5-3-4-6-19(15)20;1-3-21(31)29-10-15(11-29)30-12-18(23(24,25)26)16-8-14(5-7-20(16)30)22-13(2)4-6-19-17(22)9-27-28-19;1-3-20(28)26-11-14(12-26)27-9-8-15-19(27)7-5-16(22(15)23)21-13(2)4-6-18-17(21)10-24-25-18;1-3-21(28)26-10-15(11-26)27-12-18(23)16-8-14(5-7-20(16)27)22-13(2)4-6-19-17(22)9-24-25-19;1-2-20(27)24-10-8-15(9-11-24)25-13-23-17-12-14(6-7-18(17)25)21-16(22)4-3-5-19(21)26;1-2-18(25)22-9-13(10-22)23-11-21-15-7-6-12(8-16(15)23)19-14(20)4-3-5-17(19)24/h2-4,6,8-11,13-16,21,29H,1,5,7,12,17H2;2-11,14,17,31H,1,12-13H2;2-8,13-16,19,29H,1,9-12H2;2-11,14,17,28H,1,12-13H2;3-9,12,15H,1,10-11H2,2H3,(H,27,28);3-10,14H,1,11-12H2,2H3,(H,24,25);3-9,12,15H,1,10-11H2,2H3,(H,24,25);2-7,12-13,15,26H,1,8-11H2;2-8,11,13,24H,1,9-10H2
InChIKeyUEMKCTZOUMUPCN-UHFFFAOYSA-N
MW3509.31 g/mol
LogP42.07
Rot. Bonds27

About 1-[3-[4-chloro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[5-(5-methyl-1H-indazol-4-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one

1-[3-[4-chloro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[5-(5-methyl-1H-indazol-4-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one (PubChem CID 165075167) has the molecular formula C207H178ClF10N27O15 and a molecular weight of 3509.31 g/mol. Its IUPAC name is 1-[3-[4-chloro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[5-(5-methyl-1H-indazol-4-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[3-[4-chloro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[5-(5-methyl-1H-indazol-4-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one
PubChem CID165075167
Molecular FormulaC207H178ClF10N27O15
Molecular Weight3509.31 g/mol
Exact Mass3506.35
IUPAC Name1-[3-[4-chloro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[5-(5-methyl-1H-indazol-4-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CC(n2cc(C(F)(F)F)c3cc(-c4c(C)ccc5[nH]ncc45)ccc32)C1.C=CC(=O)N1CC(n2cc(C(F)(F)F)c3cc(-c4cc(O)cc5ccccc45)ccc32)C1.C=CC(=O)N1CC(n2cc(F)c3cc(-c4c(C)ccc5[nH]ncc45)ccc32)C1.C=CC(=O)N1CC(n2cc(F)c3cc(-c4cc(O)cc5ccccc45)ccc32)C1.C=CC(=O)N1CC(n2ccc3c(Cl)c(-c4c(C)ccc5[nH]ncc45)ccc32)C1.C=CC(=O)N1CC(n2cnc3ccc(-c4c(O)cccc4F)cc32)C1.C=CC(=O)N1CCC(n2cnc3cc(-c4c(O)cccc4F)ccc32)CC1.C=CC(=O)N1CCC(n2cnc3cc(-c4cc(O)cc5ccccc45)ccc32)CC1.C=CC(=O)N1CCCC(n2ccc3ccc(-c4cc(O)cc5ccccc45)cc32)C1
InChIInChI=1S/C26H24N2O2.C25H19F3N2O2.C25H23N3O2.C24H19FN2O2.C23H19F3N4O.C22H19ClN4O.C22H19FN4O.C21H20FN3O2.C19H16FN3O2/c1-2-26(30)27-12-5-7-21(17-27)28-13-11-18-9-10-20(15-25(18)28)24-16-22(29)14-19-6-3-4-8-23(19)24;1-2-24(32)29-12-17(13-29)30-14-22(25(26,27)28)21-10-16(7-8-23(21)30)20-11-18(31)9-15-5-3-4-6-19(15)20;1-2-25(30)27-11-9-19(10-12-27)28-16-26-23-14-18(7-8-24(23)28)22-15-20(29)13-17-5-3-4-6-21(17)22;1-2-24(29)26-12-17(13-26)27-14-22(25)21-10-16(7-8-23(21)27)20-11-18(28)9-15-5-3-4-6-19(15)20;1-3-21(31)29-10-15(11-29)30-12-18(23(24,25)26)16-8-14(5-7-20(16)30)22-13(2)4-6-19-17(22)9-27-28-19;1-3-20(28)26-11-14(12-26)27-9-8-15-19(27)7-5-16(22(15)23)21-13(2)4-6-18-17(21)10-24-25-18;1-3-21(28)26-10-15(11-26)27-12-18(23)16-8-14(5-7-20(16)27)22-13(2)4-6-19-17(22)9-24-25-19;1-2-20(27)24-10-8-15(9-11-24)25-13-23-17-12-14(6-7-18(17)25)21-16(22)4-3-5-19(21)26;1-2-18(25)22-9-13(10-22)23-11-21-15-7-6-12(8-16(15)23)19-14(20)4-3-5-17(19)24/h2-4,6,8-11,13-16,21,29H,1,5,7,12,17H2;2-11,14,17,31H,1,12-13H2;2-8,13-16,19,29H,1,9-12H2;2-11,14,17,28H,1,12-13H2;3-9,12,15H,1,10-11H2,2H3,(H,27,28);3-10,14H,1,11-12H2,2H3,(H,24,25);3-9,12,15H,1,10-11H2,2H3,(H,24,25);2-7,12-13,15,26H,1,8-11H2;2-8,11,13,24H,1,9-10H2
InChIKeyUEMKCTZOUMUPCN-UHFFFAOYSA-N
XLogP42.07
TPSA473.25 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms260
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003509.31
LogP ≤ 542.07
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[3-[4-chloro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[5-(5-methyl-1H-indazol-4-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one with MolForge

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Related Compounds

1-[(2R,5S)-4-[6-chloro-2-[2-(3,3-difluorocyclopentyl)ethoxy]-8-fluoro-7-(6-methyl-1H-indazol-7-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-(2-methylpyrazol-3-yl)oxyquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-(2-methylpyrazol-3-yl)oxyquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 159166531
1-[(2R,5S)-4-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-methylpyrazol-3-yl)oxyquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[3-[methyl(trideuteriomethyl)amino]azetidin-1-yl]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-6-methylquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 160067927
1-[(2R,5S)-4-[6-chloro-2-[2-(2-ethylpyrrol-1-yl)ethoxy]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-imidazol-1-ylethoxy)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[2-(2-methylimidazol-1-yl)ethoxy]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-8-fluoro-2-[2-(2-methylimidazol-1-yl)ethoxy]-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 157388387
tris(1-[(3S)-4-[6-chloro-2-[(1-cyclopropylpiperidin-4-yl)amino]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one);tris(1-[(3S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one)
CID 157531314
(E)-1-[4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]-4-(dimethylamino)but-2-en-1-one;1-[4-[6,8-difluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6,8-difluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6,8-difluoro-7-(6-methyl-1H-indazol-7-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(2,4-difluorophenyl)-6,8-difluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 157690220
bis(6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-2-[3-(3-fluoro-3-methylpyrrolidin-1-yl)propoxy]-7-(5-methyl-1H-indazol-4-yl)quinazoline);1-[(2R,5S)-4-[6-chloro-8-fluoro-2-[3-(3-fluoro-3-methylpyrrolidin-1-yl)propoxy]-7-(3-hydroxynaphthalen-1-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]ethanone;bis(1-[(2R,5S)-4-[6-chloro-8-fluoro-2-[3-(3-fluoro-3-methylpyrrolidin-1-yl)propoxy]-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]ethanone)
CID 157695813
1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)-3-methylazetidin-1-yl]-8-fluoro-7-(5-hydroxy-1H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)-3-methylazetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-pyrazin-2-ylethoxy)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 157764998
2-[(2S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[(2R)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;1-[4-[6-chloro-7-(1,6-dimethylindazol-7-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-1,4-diazepan-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 157823675
4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-1H-pyrazol-5-amine;1-tert-butylpyridin-2-one;5-tert-butyl-1H-pyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 157962525
1-[4-[6-chloro-2-[3-(diethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)ethylamino]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-2-[2-(3-fluoro-3-methylazetidin-1-yl)ethylamino]-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-(2-pyridin-2-ylethylamino)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 157998986
1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[3-(3-fluoro-3-methylpyrrolidin-1-yl)propoxy]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;bis(1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[3-[methyl(trideuteriomethyl)amino]azetidin-1-yl]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one);1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-[3-[methyl(trideuteriomethyl)amino]azetidin-1-yl]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 158062283
4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;bis(4-tert-butylnaphthalen-2-ol);4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;5-tert-butyl-1H-pyridin-2-one;4-tert-butylquinazolin-2-amine;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 158116559

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-chloro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[5-(5-methyl-1H-indazol-4-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[3-[4-chloro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[5-(5-methyl-1H-indazol-4-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one (CID 165075167) is 1-[3-[4-chloro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[5-(5-methyl-1H-indazol-4-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[3-[4-chloro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[5-(5-methyl-1H-indazol-4-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[3-[4-chloro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[5-(5-methyl-1H-indazol-4-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CC(n2cc(C(F)(F)F)c3cc(-c4c(C)ccc5[nH]ncc45)ccc32)C1.C=CC(=O)N1CC(n2cc(C(F)(F)F)c3cc(-c4cc(O)cc5ccccc45)ccc32)C1.C=CC(=O)N1CC(n2cc(F)c3cc(-c4c(C)ccc5[nH]ncc45)ccc32)C1.C=CC(=O)N1CC(n2cc(F)c3cc(-c4cc(O)cc5ccccc45)ccc32)C1.C=CC(=O)N1CC(n2ccc3c(Cl)c(-c4c(C)ccc5[nH]ncc45)ccc32)C1.C=CC(=O)N1CC(n2cnc3ccc(-c4c(O)cccc4F)cc32)C1.C=CC(=O)N1CCC(n2cnc3cc(-c4c(O)cccc4F)ccc32)CC1.C=CC(=O)N1CCC(n2cnc3cc(-c4cc(O)cc5ccccc45)ccc32)CC1.C=CC(=O)N1CCCC(n2ccc3ccc(-c4cc(O)cc5ccccc45)cc32)C1.
What is the InChIKey of 1-[3-[4-chloro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[5-(5-methyl-1H-indazol-4-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one?
The InChIKey is UEMKCTZOUMUPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2.C25H19F3N2O2.C25H23N3O2.C24H19FN2O2.C23H19F3N4O.C22H19ClN4O.C22H19FN4O.C21H20FN3O2.C19H16FN3O2/c1-2-26(30)27-12-5-7-21(17-27)28-13-11-18-9-10-20(15-25(18)28)24-16-22(29)14-19-6-3-4-8-23(19)24;1-2-24(32)29-12-17(13-29)30-14-22(25(26,27)28)21-10-16(7-8-23(21)30)20-11-18(31)9-15-5-3-4-6-19(15)20;1-2-25(30)27-11-9-19(10-12-27)28-16-26-23-14-18(7-8-24(23)28)22-15-20(29)13-17-5-3-4-6-21(17)22;1-2-24(29)26-12-17(13-26)27-14-22(25)21-10-16(7-8-23(21)27)20-11-18(28)9-15-5-3-4-6-19(15)20;1-3-21(31)29-10-15(11-29)30-12-18(23(24,25)26)16-8-14(5-7-20(16)30)22-13(2)4-6-19-17(22)9-27-28-19;1-3-20(28)26-11-14(12-26)27-9-8-15-19(27)7-5-16(22(15)23)21-13(2)4-6-18-17(21)10-24-25-18;1-3-21(28)26-10-15(11-26)27-12-18(23)16-8-14(5-7-20(16)27)22-13(2)4-6-19-17(22)9-24-25-19;1-2-20(27)24-10-8-15(9-11-24)25-13-23-17-12-14(6-7-18(17)25)21-16(22)4-3-5-19(21)26;1-2-18(25)22-9-13(10-22)23-11-21-15-7-6-12(8-16(15)23)19-14(20)4-3-5-17(19)24/h2-4,6,8-11,13-16,21,29H,1,5,7,12,17H2;2-11,14,17,31H,1,12-13H2;2-8,13-16,19,29H,1,9-12H2;2-11,14,17,28H,1,12-13H2;3-9,12,15H,1,10-11H2,2H3,(H,27,28);3-10,14H,1,11-12H2,2H3,(H,24,25);3-9,12,15H,1,10-11H2,2H3,(H,24,25);2-7,12-13,15,26H,1,8-11H2;2-8,11,13,24H,1,9-10H2.
What are the key properties of 1-[3-[4-chloro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[5-(5-methyl-1H-indazol-4-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one?
1-[3-[4-chloro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[5-(5-methyl-1H-indazol-4-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one has a molecular weight of 3509.31 g/mol, XLogP of 42.07, 27 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-chloro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-fluoro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[4-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[5-(5-methyl-1H-indazol-4-yl)-3-(trifluoromethyl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 165075167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).