3-[3-[1-but-3-enylsulfonyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[3-(difluoromethyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-[4-[(dimethylamino)methyl]phenyl]-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one

C204H242F2N30O24S6 — CID 161162232

IUPAC3-[3-[1-but-3-enylsulfonyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[3-(difluoromethyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-[4-[(dimethylamino)methyl]phenyl]-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one
SMILESC=CCC1(S(=O)(=O)N2CC(C)c3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(CN(C)C)cc4)cc32)CC1.C=CCC1(S(=O)(=O)N2CC(C)c3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C)CC5)nc4)cc32)CC1.C=CCC1(S(=O)(=O)N2CCc3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C)CC5)nc4)cc32)CC1.C=CCC1(S(=O)(=O)n2nc(C(F)F)c3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C)CC5)nc4)cc32)CC1.C=CCC1(S(=O)(=O)n2nc(C)c3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C)CC5)nc4)cc32)CC1.C=CCCS(=O)(=O)n1cc(C)c2c(C(=O)CCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCN(C)CC4)nc3)cc21
InChIInChI=1S/C35H43N5O4S.C34H38F2N6O4S.C34H40N6O4S.C34H41N5O4S.C34H41N3O4S.C33H39N5O4S/c1-6-11-35(12-13-35)45(43,44)40-22-24(3)33-29(31(41)9-8-28-23(2)18-25(4)37-34(28)42)19-27(20-30(33)40)26-7-10-32(36-21-26)39-16-14-38(5)15-17-39;1-5-10-34(11-12-34)47(45,46)42-27-19-24(23-6-9-29(37-20-23)41-15-13-40(4)14-16-41)18-26(30(27)31(39-42)32(35)36)28(43)8-7-25-21(2)17-22(3)38-33(25)44;1-6-11-34(12-13-34)45(43,44)40-29-20-26(25-7-10-31(35-21-25)39-16-14-38(5)15-17-39)19-28(32(29)24(4)37-40)30(41)9-8-27-22(2)18-23(3)36-33(27)42;1-5-11-34(12-13-34)44(42,43)39-14-10-28-29(31(40)8-7-27-23(2)19-24(3)36-33(27)41)20-26(21-30(28)39)25-6-9-32(35-22-25)38-17-15-37(4)16-18-38;1-7-14-34(15-16-34)42(40,41)37-20-23(3)32-29(31(38)13-12-28-22(2)17-24(4)35-33(28)39)18-27(19-30(32)37)26-10-8-25(9-11-26)21-36(5)6;1-6-7-16-43(41,42)38-21-23(3)32-28(30(39)10-9-27-22(2)17-24(4)35-33(27)40)18-26(19-29(32)38)25-8-11-31(34-20-25)37-14-12-36(5)13-15-37/h6-7,10,18-21,24H,1,8-9,11-17,22H2,2-5H3,(H,37,42);5-6,9,17-20,32H,1,7-8,10-16H2,2-4H3,(H,38,44);6-7,10,18-21H,1,8-9,11-17H2,2-5H3,(H,36,42);5-6,9,19-22H,1,7-8,10-18H2,2-4H3,(H,36,41);7-11,17-19,23H,1,12-16,20-21H2,2-6H3,(H,35,39);6,8,11,17-21H,1,7,9-10,12-16H2,2-5H3,(H,35,40)
InChIKeyUQBKYHNCCDLMGA-UHFFFAOYSA-N
MW3728.76 g/mol
LogP29.70
Rot. Bonds62

About 3-[3-[1-but-3-enylsulfonyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[3-(difluoromethyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-[4-[(dimethylamino)methyl]phenyl]-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one

3-[3-[1-but-3-enylsulfonyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[3-(difluoromethyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-[4-[(dimethylamino)methyl]phenyl]-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one (PubChem CID 161162232) has the molecular formula C204H242F2N30O24S6 and a molecular weight of 3728.76 g/mol. Its IUPAC name is 3-[3-[1-but-3-enylsulfonyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[3-(difluoromethyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-[4-[(dimethylamino)methyl]phenyl]-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-[1-but-3-enylsulfonyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[3-(difluoromethyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-[4-[(dimethylamino)methyl]phenyl]-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one
PubChem CID161162232
Molecular FormulaC204H242F2N30O24S6
Molecular Weight3728.76 g/mol
Exact Mass3725.69
IUPAC Name3-[3-[1-but-3-enylsulfonyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[3-(difluoromethyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-[4-[(dimethylamino)methyl]phenyl]-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one
SMILESC=CCC1(S(=O)(=O)N2CC(C)c3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(CN(C)C)cc4)cc32)CC1.C=CCC1(S(=O)(=O)N2CC(C)c3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C)CC5)nc4)cc32)CC1.C=CCC1(S(=O)(=O)N2CCc3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C)CC5)nc4)cc32)CC1.C=CCC1(S(=O)(=O)n2nc(C(F)F)c3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C)CC5)nc4)cc32)CC1.C=CCC1(S(=O)(=O)n2nc(C)c3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C)CC5)nc4)cc32)CC1.C=CCCS(=O)(=O)n1cc(C)c2c(C(=O)CCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCN(C)CC4)nc3)cc21
InChIInChI=1S/C35H43N5O4S.C34H38F2N6O4S.C34H40N6O4S.C34H41N5O4S.C34H41N3O4S.C33H39N5O4S/c1-6-11-35(12-13-35)45(43,44)40-22-24(3)33-29(31(41)9-8-28-23(2)18-25(4)37-34(28)42)19-27(20-30(33)40)26-7-10-32(36-21-26)39-16-14-38(5)15-17-39;1-5-10-34(11-12-34)47(45,46)42-27-19-24(23-6-9-29(37-20-23)41-15-13-40(4)14-16-41)18-26(30(27)31(39-42)32(35)36)28(43)8-7-25-21(2)17-22(3)38-33(25)44;1-6-11-34(12-13-34)45(43,44)40-29-20-26(25-7-10-31(35-21-25)39-16-14-38(5)15-17-39)19-28(32(29)24(4)37-40)30(41)9-8-27-22(2)18-23(3)36-33(27)42;1-5-11-34(12-13-34)44(42,43)39-14-10-28-29(31(40)8-7-27-23(2)19-24(3)36-33(27)41)20-26(21-30(28)39)25-6-9-32(35-22-25)38-17-15-37(4)16-18-38;1-7-14-34(15-16-34)42(40,41)37-20-23(3)32-29(31(38)13-12-28-22(2)17-24(4)35-33(28)39)18-27(19-30(32)37)26-10-8-25(9-11-26)21-36(5)6;1-6-7-16-43(41,42)38-21-23(3)32-28(30(39)10-9-27-22(2)17-24(4)35-33(27)40)18-26(19-29(32)38)25-8-11-31(34-20-25)37-14-12-36(5)13-15-37/h6-7,10,18-21,24H,1,8-9,11-17,22H2,2-5H3,(H,37,42);5-6,9,17-20,32H,1,7-8,10-16H2,2-4H3,(H,38,44);6-7,10,18-21H,1,8-9,11-17H2,2-5H3,(H,36,42);5-6,9,19-22H,1,7-8,10-18H2,2-4H3,(H,36,41);7-11,17-19,23H,1,12-16,20-21H2,2-6H3,(H,35,39);6,8,11,17-21H,1,7,9-10,12-16H2,2-5H3,(H,35,40)
InChIKeyUQBKYHNCCDLMGA-UHFFFAOYSA-N
XLogP29.70
TPSA654.80 Ų
H-Bond Donors6
H-Bond Acceptors45
Rotatable Bonds62
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003728.76
LogP ≤ 529.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1045

Analyze 3-[3-[1-but-3-enylsulfonyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[3-(difluoromethyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-[4-[(dimethylamino)methyl]phenyl]-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-but-3-enylsulfonyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[3-(difluoromethyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-[4-[(dimethylamino)methyl]phenyl]-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one?
The IUPAC name of 3-[3-[1-but-3-enylsulfonyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[3-(difluoromethyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-[4-[(dimethylamino)methyl]phenyl]-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one (CID 161162232) is 3-[3-[1-but-3-enylsulfonyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[3-(difluoromethyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-[4-[(dimethylamino)methyl]phenyl]-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-[1-but-3-enylsulfonyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[3-(difluoromethyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-[4-[(dimethylamino)methyl]phenyl]-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[3-[1-but-3-enylsulfonyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[3-(difluoromethyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-[4-[(dimethylamino)methyl]phenyl]-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one is C=CCC1(S(=O)(=O)N2CC(C)c3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(CN(C)C)cc4)cc32)CC1.C=CCC1(S(=O)(=O)N2CC(C)c3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C)CC5)nc4)cc32)CC1.C=CCC1(S(=O)(=O)N2CCc3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C)CC5)nc4)cc32)CC1.C=CCC1(S(=O)(=O)n2nc(C(F)F)c3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C)CC5)nc4)cc32)CC1.C=CCC1(S(=O)(=O)n2nc(C)c3c(C(=O)CCc4c(C)cc(C)[nH]c4=O)cc(-c4ccc(N5CCN(C)CC5)nc4)cc32)CC1.C=CCCS(=O)(=O)n1cc(C)c2c(C(=O)CCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCN(C)CC4)nc3)cc21.
What is the InChIKey of 3-[3-[1-but-3-enylsulfonyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[3-(difluoromethyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-[4-[(dimethylamino)methyl]phenyl]-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one?
The InChIKey is UQBKYHNCCDLMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N5O4S.C34H38F2N6O4S.C34H40N6O4S.C34H41N5O4S.C34H41N3O4S.C33H39N5O4S/c1-6-11-35(12-13-35)45(43,44)40-22-24(3)33-29(31(41)9-8-28-23(2)18-25(4)37-34(28)42)19-27(20-30(33)40)26-7-10-32(36-21-26)39-16-14-38(5)15-17-39;1-5-10-34(11-12-34)47(45,46)42-27-19-24(23-6-9-29(37-20-23)41-15-13-40(4)14-16-41)18-26(30(27)31(39-42)32(35)36)28(43)8-7-25-21(2)17-22(3)38-33(25)44;1-6-11-34(12-13-34)45(43,44)40-29-20-26(25-7-10-31(35-21-25)39-16-14-38(5)15-17-39)19-28(32(29)24(4)37-40)30(41)9-8-27-22(2)18-23(3)36-33(27)42;1-5-11-34(12-13-34)44(42,43)39-14-10-28-29(31(40)8-7-27-23(2)19-24(3)36-33(27)41)20-26(21-30(28)39)25-6-9-32(35-22-25)38-17-15-37(4)16-18-38;1-7-14-34(15-16-34)42(40,41)37-20-23(3)32-29(31(38)13-12-28-22(2)17-24(4)35-33(28)39)18-27(19-30(32)37)26-10-8-25(9-11-26)21-36(5)6;1-6-7-16-43(41,42)38-21-23(3)32-28(30(39)10-9-27-22(2)17-24(4)35-33(27)40)18-26(19-29(32)38)25-8-11-31(34-20-25)37-14-12-36(5)13-15-37/h6-7,10,18-21,24H,1,8-9,11-17,22H2,2-5H3,(H,37,42);5-6,9,17-20,32H,1,7-8,10-16H2,2-4H3,(H,38,44);6-7,10,18-21H,1,8-9,11-17H2,2-5H3,(H,36,42);5-6,9,19-22H,1,7-8,10-18H2,2-4H3,(H,36,41);7-11,17-19,23H,1,12-16,20-21H2,2-6H3,(H,35,39);6,8,11,17-21H,1,7,9-10,12-16H2,2-5H3,(H,35,40).
What are the key properties of 3-[3-[1-but-3-enylsulfonyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[3-(difluoromethyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-[4-[(dimethylamino)methyl]phenyl]-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one?
3-[3-[1-but-3-enylsulfonyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[3-(difluoromethyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-[4-[(dimethylamino)methyl]phenyl]-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one has a molecular weight of 3728.76 g/mol, XLogP of 29.70, 62 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-but-3-enylsulfonyl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[3-(difluoromethyl)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[6-[4-[(dimethylamino)methyl]phenyl]-3-methyl-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonylindazol-4-yl]-3-oxopropyl]-1H-pyridin-2-one;4,6-dimethyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(1-prop-2-enylcyclopropyl)sulfonyl-2,3-dihydroindol-4-yl]-3-oxopropyl]-1H-pyridin-2-one is sourced from PubChem (CID 161162232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).