[4-amino-2-[[1-[[6-[2-(dimethylamino)ethylsulfanyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[1-(dimethylamino)propan-2-yloxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[3-(dimethylamino)prop-1-ynyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(1-methylimidazol-4-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-pyridin-3-ylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;methane
C147H157F13N34O19S13 — CID 158022289
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC[4-amino-2-[[1-[[6-[2-(dimethylamino)ethylsulfanyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[1-(dimethylamino)propan-2-yloxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[3-(dimethylamino)prop-1-ynyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(1-methylimidazol-4-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-pyridin-3-ylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;methane
SMILESC.C.CC(CN(C)C)Oc1ccc(S(=O)(=O)N2CCC(Nc3nc(N)c(C(=O)c4c(F)cccc4F)s3)CC2)cn1.CN(C)CC#Cc1ccc(S(=O)(=O)N2CCC(Nc3nc(N)c(C(=O)c4c(F)cccc4F)s3)CC2)cn1.CN(C)CCSc1ccc(S(=O)(=O)N2CCC(Nc3nc(N)c(C(=O)c4c(F)cccc4F)s3)CC2)cn1.Cn1cnc(-c2ccc(S(=O)(=O)N3CCC(Nc4nc(N)c(C(=O)c5c(F)cccc5F)s4)CC3)cn2)c1.Nc1nc(NC2CCN(S(=O)(=O)c3ccc(-c4cccnc4)cc3)CC2)sc1C(=O)c1c(F)cccc1F.Nc1nc(NC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)sc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C26H23F2N5O3S2.C25H30F2N6O4S2.C25H26F2N6O3S2.C24H23F2N7O3S2.C24H28F2N6O3S3.C21H19F3N4O3S2.2CH4/c27-20-4-1-5-21(28)22(20)23(34)24-25(29)32-26(37-24)31-18-10-13-33(14-11-18)38(35,36)19-8-6-16(7-9-19)17-3-2-12-30-15-17;1-15(14-32(2)3)37-20-8-7-17(13-29-20)39(35,36)33-11-9-16(10-12-33)30-25-31-24(28)23(38-25)22(34)21-18(26)5-4-6-19(21)27;1-32(2)12-4-5-16-8-9-18(15-29-16)38(35,36)33-13-10-17(11-14-33)30-25-31-24(28)23(37-25)22(34)21-19(26)6-3-7-20(21)27;1-32-12-19(29-13-32)18-6-5-15(11-28-18)38(35,36)33-9-7-14(8-10-33)30-24-31-23(27)22(37-24)21(34)20-16(25)3-2-4-17(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;22-12-4-6-14(7-5-12)33(30,31)28-10-8-13(9-11-28)26-21-27-20(25)19(32-21)18(29)17-15(23)2-1-3-16(17)24;;/h1-9,12,15,18H,10-11,13-14,29H2,(H,31,32);4-8,13,15-16H,9-12,14,28H2,1-3H3,(H,30,31);3,6-9,15,17H,10-14,28H2,1-2H3,(H,30,31);2-6,11-14H,7-10,27H2,1H3,(H,30,31);3-7,14-15H,8-13,27H2,1-2H3,(H,29,30);1-7,13H,8-11,25H2,(H,26,27);2*1H4
InChIKeyFGEVAWSLYLXRTE-UHFFFAOYSA-N
MW3367.94 g/mol
LogP22.35
Rot. Bonds47
About [4-amino-2-[[1-[[6-[2-(dimethylamino)ethylsulfanyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[1-(dimethylamino)propan-2-yloxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[3-(dimethylamino)prop-1-ynyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(1-methylimidazol-4-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-pyridin-3-ylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;methane
[4-amino-2-[[1-[[6-[2-(dimethylamino)ethylsulfanyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[1-(dimethylamino)propan-2-yloxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[3-(dimethylamino)prop-1-ynyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(1-methylimidazol-4-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-pyridin-3-ylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;methane (PubChem CID 158022289) has the molecular formula C147H157F13N34O19S13 and a molecular weight of 3367.94 g/mol. Its IUPAC name is [4-amino-2-[[1-[[6-[2-(dimethylamino)ethylsulfanyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[1-(dimethylamino)propan-2-yloxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[3-(dimethylamino)prop-1-ynyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(1-methylimidazol-4-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-pyridin-3-ylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;methane.
Molecular Properties
| Compound Name | [4-amino-2-[[1-[[6-[2-(dimethylamino)ethylsulfanyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[1-(dimethylamino)propan-2-yloxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[3-(dimethylamino)prop-1-ynyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(1-methylimidazol-4-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-pyridin-3-ylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;methane |
|---|---|
| PubChem CID | 158022289 |
| Molecular Formula | C147H157F13N34O19S13 |
| Molecular Weight | 3367.94 g/mol |
| Exact Mass | 3364.85 |
| IUPAC Name | [4-amino-2-[[1-[[6-[2-(dimethylamino)ethylsulfanyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[1-(dimethylamino)propan-2-yloxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[3-(dimethylamino)prop-1-ynyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(1-methylimidazol-4-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-pyridin-3-ylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;methane |
| SMILES | C.C.CC(CN(C)C)Oc1ccc(S(=O)(=O)N2CCC(Nc3nc(N)c(C(=O)c4c(F)cccc4F)s3)CC2)cn1.CN(C)CC#Cc1ccc(S(=O)(=O)N2CCC(Nc3nc(N)c(C(=O)c4c(F)cccc4F)s3)CC2)cn1.CN(C)CCSc1ccc(S(=O)(=O)N2CCC(Nc3nc(N)c(C(=O)c4c(F)cccc4F)s3)CC2)cn1.Cn1cnc(-c2ccc(S(=O)(=O)N3CCC(Nc4nc(N)c(C(=O)c5c(F)cccc5F)s4)CC3)cn2)c1.Nc1nc(NC2CCN(S(=O)(=O)c3ccc(-c4cccnc4)cc3)CC2)sc1C(=O)c1c(F)cccc1F.Nc1nc(NC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)sc1C(=O)c1c(F)cccc1F |
| InChI | InChI=1S/C26H23F2N5O3S2.C25H30F2N6O4S2.C25H26F2N6O3S2.C24H23F2N7O3S2.C24H28F2N6O3S3.C21H19F3N4O3S2.2CH4/c27-20-4-1-5-21(28)22(20)23(34)24-25(29)32-26(37-24)31-18-10-13-33(14-11-18)38(35,36)19-8-6-16(7-9-19)17-3-2-12-30-15-17;1-15(14-32(2)3)37-20-8-7-17(13-29-20)39(35,36)33-11-9-16(10-12-33)30-25-31-24(28)23(38-25)22(34)21-18(26)5-4-6-19(21)27;1-32(2)12-4-5-16-8-9-18(15-29-16)38(35,36)33-13-10-17(11-14-33)30-25-31-24(28)23(37-25)22(34)21-19(26)6-3-7-20(21)27;1-32-12-19(29-13-32)18-6-5-15(11-28-18)38(35,36)33-9-7-14(8-10-33)30-24-31-23(27)22(37-24)21(34)20-16(25)3-2-4-17(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;22-12-4-6-14(7-5-12)33(30,31)28-10-8-13(9-11-28)26-21-27-20(25)19(32-21)18(29)17-15(23)2-1-3-16(17)24;;/h1-9,12,15,18H,10-11,13-14,29H2,(H,31,32);4-8,13,15-16H,9-12,14,28H2,1-3H3,(H,30,31);3,6-9,15,17H,10-14,28H2,1-2H3,(H,30,31);2-6,11-14H,7-10,27H2,1H3,(H,30,31);3-7,14-15H,8-13,27H2,1-2H3,(H,29,30);1-7,13H,8-11,25H2,(H,26,27);2*1H4 |
| InChIKey | FGEVAWSLYLXRTE-UHFFFAOYSA-N |
| XLogP | 22.35 |
| TPSA | 733.56 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 54 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 226 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3367.94 |
| LogP ≤ 5 | 22.35 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 54 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of [4-amino-2-[[1-[[6-[2-(dimethylamino)ethylsulfanyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[1-(dimethylamino)propan-2-yloxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[3-(dimethylamino)prop-1-ynyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(1-methylimidazol-4-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-pyridin-3-ylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;methane?
The IUPAC name of [4-amino-2-[[1-[[6-[2-(dimethylamino)ethylsulfanyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[1-(dimethylamino)propan-2-yloxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[3-(dimethylamino)prop-1-ynyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(1-methylimidazol-4-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-pyridin-3-ylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;methane (CID 158022289) is [4-amino-2-[[1-[[6-[2-(dimethylamino)ethylsulfanyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[1-(dimethylamino)propan-2-yloxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[3-(dimethylamino)prop-1-ynyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(1-methylimidazol-4-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-pyridin-3-ylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;methane.
What is the SMILES notation for [4-amino-2-[[1-[[6-[2-(dimethylamino)ethylsulfanyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[1-(dimethylamino)propan-2-yloxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[3-(dimethylamino)prop-1-ynyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(1-methylimidazol-4-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-pyridin-3-ylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;methane?
The canonical SMILES for [4-amino-2-[[1-[[6-[2-(dimethylamino)ethylsulfanyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[1-(dimethylamino)propan-2-yloxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[3-(dimethylamino)prop-1-ynyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(1-methylimidazol-4-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-pyridin-3-ylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;methane is C.C.CC(CN(C)C)Oc1ccc(S(=O)(=O)N2CCC(Nc3nc(N)c(C(=O)c4c(F)cccc4F)s3)CC2)cn1.CN(C)CC#Cc1ccc(S(=O)(=O)N2CCC(Nc3nc(N)c(C(=O)c4c(F)cccc4F)s3)CC2)cn1.CN(C)CCSc1ccc(S(=O)(=O)N2CCC(Nc3nc(N)c(C(=O)c4c(F)cccc4F)s3)CC2)cn1.Cn1cnc(-c2ccc(S(=O)(=O)N3CCC(Nc4nc(N)c(C(=O)c5c(F)cccc5F)s4)CC3)cn2)c1.Nc1nc(NC2CCN(S(=O)(=O)c3ccc(-c4cccnc4)cc3)CC2)sc1C(=O)c1c(F)cccc1F.Nc1nc(NC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)sc1C(=O)c1c(F)cccc1F.
What is the InChIKey of [4-amino-2-[[1-[[6-[2-(dimethylamino)ethylsulfanyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[1-(dimethylamino)propan-2-yloxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[3-(dimethylamino)prop-1-ynyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(1-methylimidazol-4-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-pyridin-3-ylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;methane?
The InChIKey is FGEVAWSLYLXRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N5O3S2.C25H30F2N6O4S2.C25H26F2N6O3S2.C24H23F2N7O3S2.C24H28F2N6O3S3.C21H19F3N4O3S2.2CH4/c27-20-4-1-5-21(28)22(20)23(34)24-25(29)32-26(37-24)31-18-10-13-33(14-11-18)38(35,36)19-8-6-16(7-9-19)17-3-2-12-30-15-17;1-15(14-32(2)3)37-20-8-7-17(13-29-20)39(35,36)33-11-9-16(10-12-33)30-25-31-24(28)23(38-25)22(34)21-18(26)5-4-6-19(21)27;1-32(2)12-4-5-16-8-9-18(15-29-16)38(35,36)33-13-10-17(11-14-33)30-25-31-24(28)23(37-25)22(34)21-19(26)6-3-7-20(21)27;1-32-12-19(29-13-32)18-6-5-15(11-28-18)38(35,36)33-9-7-14(8-10-33)30-24-31-23(27)22(37-24)21(34)20-16(25)3-2-4-17(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;22-12-4-6-14(7-5-12)33(30,31)28-10-8-13(9-11-28)26-21-27-20(25)19(32-21)18(29)17-15(23)2-1-3-16(17)24;;/h1-9,12,15,18H,10-11,13-14,29H2,(H,31,32);4-8,13,15-16H,9-12,14,28H2,1-3H3,(H,30,31);3,6-9,15,17H,10-14,28H2,1-2H3,(H,30,31);2-6,11-14H,7-10,27H2,1H3,(H,30,31);3-7,14-15H,8-13,27H2,1-2H3,(H,29,30);1-7,13H,8-11,25H2,(H,26,27);2*1H4.
What are the key properties of [4-amino-2-[[1-[[6-[2-(dimethylamino)ethylsulfanyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[1-(dimethylamino)propan-2-yloxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[3-(dimethylamino)prop-1-ynyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(1-methylimidazol-4-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-pyridin-3-ylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;methane?
[4-amino-2-[[1-[[6-[2-(dimethylamino)ethylsulfanyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[1-(dimethylamino)propan-2-yloxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[3-(dimethylamino)prop-1-ynyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(1-methylimidazol-4-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-pyridin-3-ylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;methane has a molecular weight of 3367.94 g/mol, XLogP of 22.35, 47 rotatable bonds, 12 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[[1-[[6-[2-(dimethylamino)ethylsulfanyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[1-(dimethylamino)propan-2-yloxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-[3-(dimethylamino)prop-1-ynyl]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-[[6-(1-methylimidazol-4-yl)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;[4-amino-2-[[1-(4-pyridin-3-ylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;methane is sourced from PubChem (CID 158022289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158022289 — identifiers, structure, computed properties (public domain)
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