[4-amino-2-[[1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[[(3S)-1-methylpiperidin-3-yl]methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone

C180H206F14N44O25S14 — CID 161093068

IUPAC[4-amino-2-[[1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[[(3S)-1-methylpiperidin-3-yl]methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone
SMILESCN(C)CCOc1ccc(S(=O)(=O)N2CCC(Nc3nc(N)c(C(=O)c4c(F)cccc4F)s3)CC2)cn1.CN1CCCC(COc2ccc(S(=O)(=O)N3CCC(Nc4nc(N)c(C(=O)c5c(F)cccc5F)s4)CC3)cn2)C1.CN1CCC[C@H](COc2ccc(S(=O)(=O)N3CCC(Nc4nc(N)c(C(=O)c5c(F)cccc5F)s4)CC3)cn2)C1.CN1CCN(c2ccc(S(=O)(=O)N3CCC(Nc4nc(N)c(C(=O)c5c(F)cccc5F)s4)CC3)cn2)CC1.C[C@@H]1CN(c2ccc(S(=O)(=O)N3CCC(Nc4nc(N)c(C(=O)c5c(F)cccc5F)s4)CC3)cc2)C[C@H](C)N1.Cc1cn(-c2ccc(S(=O)(=O)N3CCC(Nc4nc(N)c(C(=O)c5c(F)cccc5F)s4)CC3)cn2)cn1.Nc1nc(NC2CCN(S(=O)(=O)c3ccc(OCCN4CCCC4)nc3)CC2)sc1C(=O)c1c(F)cccc1F
InChIInChI=1S/2C27H32F2N6O4S2.C27H32F2N6O3S2.C26H30F2N6O4S2.C25H29F2N7O3S2.C24H23F2N7O3S2.C24H28F2N6O4S2/c2*1-34-11-3-4-17(15-34)16-39-22-8-7-19(14-31-22)41(37,38)35-12-9-18(10-13-35)32-27-33-26(30)25(40-27)24(36)23-20(28)5-2-6-21(23)29;1-16-14-34(15-17(2)31-16)19-6-8-20(9-7-19)40(37,38)35-12-10-18(11-13-35)32-27-33-26(30)25(39-27)24(36)23-21(28)4-3-5-22(23)29;27-19-4-3-5-20(28)22(19)23(35)24-25(29)32-26(39-24)31-17-8-12-34(13-9-17)40(36,37)18-6-7-21(30-16-18)38-15-14-33-10-1-2-11-33;1-32-11-13-33(14-12-32)20-6-5-17(15-29-20)39(36,37)34-9-7-16(8-10-34)30-25-31-24(28)23(38-25)22(35)21-18(26)3-2-4-19(21)27;1-14-12-32(13-29-14)19-6-5-16(11-28-19)38(35,36)33-9-7-15(8-10-33)30-24-31-23(27)22(37-24)21(34)20-17(25)3-2-4-18(20)26;1-31(2)12-13-36-19-7-6-16(14-28-19)38(34,35)32-10-8-15(9-11-32)29-24-30-23(27)22(37-24)21(33)20-17(25)4-3-5-18(20)26/h2*2,5-8,14,17-18H,3-4,9-13,15-16,30H2,1H3,(H,32,33);3-9,16-18,31H,10-15,30H2,1-2H3,(H,32,33);3-7,16-17H,1-2,8-15,29H2,(H,31,32);2-6,15-16H,7-14,28H2,1H3,(H,30,31);2-6,11-13,15H,7-10,27H2,1H3,(H,30,31);3-7,14-15H,8-13,27H2,1-2H3,(H,29,30)/t17-;;16-,17+;;;;/m0....../s1
InChIKeyUHKXVTLUJKIVQQ-YAXONBPJSA-N
MW4100.82 g/mol
LogP23.16
Rot. Bonds59

About [4-amino-2-[[1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[[(3S)-1-methylpiperidin-3-yl]methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone

[4-amino-2-[[1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[[(3S)-1-methylpiperidin-3-yl]methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone (PubChem CID 161093068) has the molecular formula C180H206F14N44O25S14 and a molecular weight of 4100.82 g/mol. Its IUPAC name is [4-amino-2-[[1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[[(3S)-1-methylpiperidin-3-yl]methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-[[1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[[(3S)-1-methylpiperidin-3-yl]methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone
PubChem CID161093068
Molecular FormulaC180H206F14N44O25S14
Molecular Weight4100.82 g/mol
Exact Mass4097.21
IUPAC Name[4-amino-2-[[1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[[(3S)-1-methylpiperidin-3-yl]methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone
SMILESCN(C)CCOc1ccc(S(=O)(=O)N2CCC(Nc3nc(N)c(C(=O)c4c(F)cccc4F)s3)CC2)cn1.CN1CCCC(COc2ccc(S(=O)(=O)N3CCC(Nc4nc(N)c(C(=O)c5c(F)cccc5F)s4)CC3)cn2)C1.CN1CCC[C@H](COc2ccc(S(=O)(=O)N3CCC(Nc4nc(N)c(C(=O)c5c(F)cccc5F)s4)CC3)cn2)C1.CN1CCN(c2ccc(S(=O)(=O)N3CCC(Nc4nc(N)c(C(=O)c5c(F)cccc5F)s4)CC3)cn2)CC1.C[C@@H]1CN(c2ccc(S(=O)(=O)N3CCC(Nc4nc(N)c(C(=O)c5c(F)cccc5F)s4)CC3)cc2)C[C@H](C)N1.Cc1cn(-c2ccc(S(=O)(=O)N3CCC(Nc4nc(N)c(C(=O)c5c(F)cccc5F)s4)CC3)cn2)cn1.Nc1nc(NC2CCN(S(=O)(=O)c3ccc(OCCN4CCCC4)nc3)CC2)sc1C(=O)c1c(F)cccc1F
InChIInChI=1S/2C27H32F2N6O4S2.C27H32F2N6O3S2.C26H30F2N6O4S2.C25H29F2N7O3S2.C24H23F2N7O3S2.C24H28F2N6O4S2/c2*1-34-11-3-4-17(15-34)16-39-22-8-7-19(14-31-22)41(37,38)35-12-9-18(10-13-35)32-27-33-26(30)25(40-27)24(36)23-20(28)5-2-6-21(23)29;1-16-14-34(15-17(2)31-16)19-6-8-20(9-7-19)40(37,38)35-12-10-18(11-13-35)32-27-33-26(30)25(39-27)24(36)23-21(28)4-3-5-22(23)29;27-19-4-3-5-20(28)22(19)23(35)24-25(29)32-26(39-24)31-17-8-12-34(13-9-17)40(36,37)18-6-7-21(30-16-18)38-15-14-33-10-1-2-11-33;1-32-11-13-33(14-12-32)20-6-5-17(15-29-20)39(36,37)34-9-7-16(8-10-34)30-25-31-24(28)23(38-25)22(35)21-18(26)3-2-4-19(21)27;1-14-12-32(13-29-14)19-6-5-16(11-28-19)38(35,36)33-9-7-15(8-10-33)30-24-31-23(27)22(37-24)21(34)20-17(25)3-2-4-18(20)26;1-31(2)12-13-36-19-7-6-16(14-28-19)38(34,35)32-10-8-15(9-11-32)29-24-30-23(27)22(37-24)21(33)20-17(25)4-3-5-18(20)26/h2*2,5-8,14,17-18H,3-4,9-13,15-16,30H2,1H3,(H,32,33);3-9,16-18,31H,10-15,30H2,1-2H3,(H,32,33);3-7,16-17H,1-2,8-15,29H2,(H,31,32);2-6,15-16H,7-14,28H2,1H3,(H,30,31);2-6,11-13,15H,7-10,27H2,1H3,(H,30,31);3-7,14-15H,8-13,27H2,1-2H3,(H,29,30)/t17-;;16-,17+;;;;/m0....../s1
InChIKeyUHKXVTLUJKIVQQ-YAXONBPJSA-N
XLogP23.16
TPSA904.52 Ų
H-Bond Donors15
H-Bond Acceptors69
Rotatable Bonds59
Heavy Atoms277
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004100.82
LogP ≤ 523.16
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1069

Analyze [4-amino-2-[[1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[[(3S)-1-methylpiperidin-3-yl]methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[[1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[[(3S)-1-methylpiperidin-3-yl]methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [4-amino-2-[[1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[[(3S)-1-methylpiperidin-3-yl]methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone (CID 161093068) is [4-amino-2-[[1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[[(3S)-1-methylpiperidin-3-yl]methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [4-amino-2-[[1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[[(3S)-1-methylpiperidin-3-yl]methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [4-amino-2-[[1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[[(3S)-1-methylpiperidin-3-yl]methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone is CN(C)CCOc1ccc(S(=O)(=O)N2CCC(Nc3nc(N)c(C(=O)c4c(F)cccc4F)s3)CC2)cn1.CN1CCCC(COc2ccc(S(=O)(=O)N3CCC(Nc4nc(N)c(C(=O)c5c(F)cccc5F)s4)CC3)cn2)C1.CN1CCC[C@H](COc2ccc(S(=O)(=O)N3CCC(Nc4nc(N)c(C(=O)c5c(F)cccc5F)s4)CC3)cn2)C1.CN1CCN(c2ccc(S(=O)(=O)N3CCC(Nc4nc(N)c(C(=O)c5c(F)cccc5F)s4)CC3)cn2)CC1.C[C@@H]1CN(c2ccc(S(=O)(=O)N3CCC(Nc4nc(N)c(C(=O)c5c(F)cccc5F)s4)CC3)cc2)C[C@H](C)N1.Cc1cn(-c2ccc(S(=O)(=O)N3CCC(Nc4nc(N)c(C(=O)c5c(F)cccc5F)s4)CC3)cn2)cn1.Nc1nc(NC2CCN(S(=O)(=O)c3ccc(OCCN4CCCC4)nc3)CC2)sc1C(=O)c1c(F)cccc1F.
What is the InChIKey of [4-amino-2-[[1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[[(3S)-1-methylpiperidin-3-yl]methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone?
The InChIKey is UHKXVTLUJKIVQQ-YAXONBPJSA-N. The full InChI is InChI=1S/2C27H32F2N6O4S2.C27H32F2N6O3S2.C26H30F2N6O4S2.C25H29F2N7O3S2.C24H23F2N7O3S2.C24H28F2N6O4S2/c2*1-34-11-3-4-17(15-34)16-39-22-8-7-19(14-31-22)41(37,38)35-12-9-18(10-13-35)32-27-33-26(30)25(40-27)24(36)23-20(28)5-2-6-21(23)29;1-16-14-34(15-17(2)31-16)19-6-8-20(9-7-19)40(37,38)35-12-10-18(11-13-35)32-27-33-26(30)25(39-27)24(36)23-21(28)4-3-5-22(23)29;27-19-4-3-5-20(28)22(19)23(35)24-25(29)32-26(39-24)31-17-8-12-34(13-9-17)40(36,37)18-6-7-21(30-16-18)38-15-14-33-10-1-2-11-33;1-32-11-13-33(14-12-32)20-6-5-17(15-29-20)39(36,37)34-9-7-16(8-10-34)30-25-31-24(28)23(38-25)22(35)21-18(26)3-2-4-19(21)27;1-14-12-32(13-29-14)19-6-5-16(11-28-19)38(35,36)33-9-7-15(8-10-33)30-24-31-23(27)22(37-24)21(34)20-17(25)3-2-4-18(20)26;1-31(2)12-13-36-19-7-6-16(14-28-19)38(34,35)32-10-8-15(9-11-32)29-24-30-23(27)22(37-24)21(33)20-17(25)4-3-5-18(20)26/h2*2,5-8,14,17-18H,3-4,9-13,15-16,30H2,1H3,(H,32,33);3-9,16-18,31H,10-15,30H2,1-2H3,(H,32,33);3-7,16-17H,1-2,8-15,29H2,(H,31,32);2-6,15-16H,7-14,28H2,1H3,(H,30,31);2-6,11-13,15H,7-10,27H2,1H3,(H,30,31);3-7,14-15H,8-13,27H2,1-2H3,(H,29,30)/t17-;;16-,17+;;;;/m0....../s1.
What are the key properties of [4-amino-2-[[1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[[(3S)-1-methylpiperidin-3-yl]methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone?
[4-amino-2-[[1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[[(3S)-1-methylpiperidin-3-yl]methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone has a molecular weight of 4100.82 g/mol, XLogP of 23.16, 59 rotatable bonds, 15 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[[1-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[[(3S)-1-methylpiperidin-3-yl]methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 161093068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).