4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;[4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-morpholin-4-ylmethanone;4-[4-fluoro-6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;4-fluoro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol
C159H132Cl2F3N49O9S7 — CID 159599920
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;[4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-morpholin-4-ylmethanone;4-[4-fluoro-6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;4-fluoro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol
SMILESCOc1c(-c2cnn(C)c2)cnc2ccc(Sc3nnc4c(OC)cc(-c5cnn(C)c5)cn34)cc12.COc1c(N2CCOCC2)cnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc(N6CCOCC6)c(F)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(-c6cnn(C)c6)c(F)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(C(=O)N6CCOCC6)c(Cl)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5nccc(Cl)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5nccc(OCCO)c5c4)n3c2)cn1
InChIInChI=1S/C25H22N8O2S.C24H20ClN7O2S.C24H23N7O2S.C23H19F2N7OS.C23H17FN8S.C21H18N6O2S.C19H13ClN6S/c1-31-12-16(9-27-31)15-7-22(34-3)24-29-30-25(33(24)14-15)36-18-5-6-21-19(8-18)23(35-4)20(11-26-21)17-10-28-32(2)13-17;1-30-13-16(11-27-30)15-2-5-21-28-29-24(32(21)14-15)35-17-3-4-20-18(10-17)22(25)19(12-26-20)23(33)31-6-8-34-9-7-31;1-29-14-17(12-26-29)16-3-6-22-27-28-24(31(22)15-16)34-18-4-5-20-19(11-18)23(32-2)21(13-25-20)30-7-9-33-10-8-30;1-30-12-15(10-27-30)14-8-18(24)22-28-29-23(32(22)13-14)34-16-2-3-19-17(9-16)21(25)20(11-26-19)31-4-6-33-7-5-31;1-30-11-15(8-26-30)14-3-6-21-28-29-23(32(21)13-14)33-17-4-5-20-18(7-17)22(24)19(10-25-20)16-9-27-31(2)12-16;1-26-12-15(11-23-26)14-2-5-20-24-25-21(27(20)13-14)30-16-3-4-18-17(10-16)19(6-7-22-18)29-9-8-28;1-25-10-13(9-22-25)12-2-5-18-23-24-19(26(18)11-12)27-14-3-4-17-15(8-14)16(20)6-7-21-17/h5-14H,1-4H3;2-5,10-14H,6-9H2,1H3;3-6,11-15H,7-10H2,1-2H3;2-3,8-13H,4-7H2,1H3;3-13H,1-2H3;2-7,10-13,28H,8-9H2,1H3;2-11H,1H3
InChIKeyMLINGPBQWMQDEH-UHFFFAOYSA-N
MW3225.51 g/mol
LogP27.87
Rot. Bonds32
About 4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;[4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-morpholin-4-ylmethanone;4-[4-fluoro-6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;4-fluoro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol
4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;[4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-morpholin-4-ylmethanone;4-[4-fluoro-6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;4-fluoro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol (PubChem CID 159599920) has the molecular formula C159H132Cl2F3N49O9S7 and a molecular weight of 3225.51 g/mol. Its IUPAC name is 4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;[4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-morpholin-4-ylmethanone;4-[4-fluoro-6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;4-fluoro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol.
Molecular Properties
| Compound Name | 4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;[4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-morpholin-4-ylmethanone;4-[4-fluoro-6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;4-fluoro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol |
|---|---|
| PubChem CID | 159599920 |
| Molecular Formula | C159H132Cl2F3N49O9S7 |
| Molecular Weight | 3225.51 g/mol |
| Exact Mass | 3221.88 |
| IUPAC Name | 4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;[4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-morpholin-4-ylmethanone;4-[4-fluoro-6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;4-fluoro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol |
| SMILES | COc1c(-c2cnn(C)c2)cnc2ccc(Sc3nnc4c(OC)cc(-c5cnn(C)c5)cn34)cc12.COc1c(N2CCOCC2)cnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc(N6CCOCC6)c(F)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(-c6cnn(C)c6)c(F)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(C(=O)N6CCOCC6)c(Cl)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5nccc(Cl)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5nccc(OCCO)c5c4)n3c2)cn1 |
| InChI | InChI=1S/C25H22N8O2S.C24H20ClN7O2S.C24H23N7O2S.C23H19F2N7OS.C23H17FN8S.C21H18N6O2S.C19H13ClN6S/c1-31-12-16(9-27-31)15-7-22(34-3)24-29-30-25(33(24)14-15)36-18-5-6-21-19(8-18)23(35-4)20(11-26-21)17-10-28-32(2)13-17;1-30-13-16(11-27-30)15-2-5-21-28-29-24(32(21)14-15)35-17-3-4-20-18(10-17)22(25)19(12-26-20)23(33)31-6-8-34-9-7-31;1-29-14-17(12-26-29)16-3-6-22-27-28-24(31(22)15-16)34-18-4-5-20-19(11-18)23(32-2)21(13-25-20)30-7-9-33-10-8-30;1-30-12-15(10-27-30)14-8-18(24)22-28-29-23(32(22)13-14)34-16-2-3-19-17(9-16)21(25)20(11-26-19)31-4-6-33-7-5-31;1-30-11-15(8-26-30)14-3-6-21-28-29-23(32(21)13-14)33-17-4-5-20-18(7-17)22(24)19(10-25-20)16-9-27-31(2)12-16;1-26-12-15(11-23-26)14-2-5-20-24-25-21(27(20)13-14)30-16-3-4-18-17(10-16)19(6-7-22-18)29-9-8-28;1-25-10-13(9-22-25)12-2-5-18-23-24-19(26(18)11-12)27-14-3-4-17-15(8-14)16(20)6-7-21-17/h5-14H,1-4H3;2-5,10-14H,6-9H2,1H3;3-6,11-15H,7-10H2,1-2H3;2-3,8-13H,4-7H2,1H3;3-13H,1-2H3;2-7,10-13,28H,8-9H2,1H3;2-11H,1H3 |
| InChIKey | MLINGPBQWMQDEH-UHFFFAOYSA-N |
| XLogP | 27.87 |
| TPSA | 573.57 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 64 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 229 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3225.51 |
| LogP ≤ 5 | 27.87 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 64 |
Frequently Asked Questions
What is the IUPAC name of 4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;[4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-morpholin-4-ylmethanone;4-[4-fluoro-6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;4-fluoro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol?
The IUPAC name of 4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;[4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-morpholin-4-ylmethanone;4-[4-fluoro-6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;4-fluoro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol (CID 159599920) is 4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;[4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-morpholin-4-ylmethanone;4-[4-fluoro-6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;4-fluoro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol.
What is the SMILES notation for 4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;[4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-morpholin-4-ylmethanone;4-[4-fluoro-6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;4-fluoro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol?
The canonical SMILES for 4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;[4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-morpholin-4-ylmethanone;4-[4-fluoro-6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;4-fluoro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol is COc1c(-c2cnn(C)c2)cnc2ccc(Sc3nnc4c(OC)cc(-c5cnn(C)c5)cn34)cc12.COc1c(N2CCOCC2)cnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc(N6CCOCC6)c(F)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(-c6cnn(C)c6)c(F)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(C(=O)N6CCOCC6)c(Cl)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5nccc(Cl)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5nccc(OCCO)c5c4)n3c2)cn1.
What is the InChIKey of 4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;[4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-morpholin-4-ylmethanone;4-[4-fluoro-6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;4-fluoro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol?
The InChIKey is MLINGPBQWMQDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8O2S.C24H20ClN7O2S.C24H23N7O2S.C23H19F2N7OS.C23H17FN8S.C21H18N6O2S.C19H13ClN6S/c1-31-12-16(9-27-31)15-7-22(34-3)24-29-30-25(33(24)14-15)36-18-5-6-21-19(8-18)23(35-4)20(11-26-21)17-10-28-32(2)13-17;1-30-13-16(11-27-30)15-2-5-21-28-29-24(32(21)14-15)35-17-3-4-20-18(10-17)22(25)19(12-26-20)23(33)31-6-8-34-9-7-31;1-29-14-17(12-26-29)16-3-6-22-27-28-24(31(22)15-16)34-18-4-5-20-19(11-18)23(32-2)21(13-25-20)30-7-9-33-10-8-30;1-30-12-15(10-27-30)14-8-18(24)22-28-29-23(32(22)13-14)34-16-2-3-19-17(9-16)21(25)20(11-26-19)31-4-6-33-7-5-31;1-30-11-15(8-26-30)14-3-6-21-28-29-23(32(21)13-14)33-17-4-5-20-18(7-17)22(24)19(10-25-20)16-9-27-31(2)12-16;1-26-12-15(11-23-26)14-2-5-20-24-25-21(27(20)13-14)30-16-3-4-18-17(10-16)19(6-7-22-18)29-9-8-28;1-25-10-13(9-22-25)12-2-5-18-23-24-19(26(18)11-12)27-14-3-4-17-15(8-14)16(20)6-7-21-17/h5-14H,1-4H3;2-5,10-14H,6-9H2,1H3;3-6,11-15H,7-10H2,1-2H3;2-3,8-13H,4-7H2,1H3;3-13H,1-2H3;2-7,10-13,28H,8-9H2,1H3;2-11H,1H3.
What are the key properties of 4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;[4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-morpholin-4-ylmethanone;4-[4-fluoro-6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;4-fluoro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol?
4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;[4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-morpholin-4-ylmethanone;4-[4-fluoro-6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;4-fluoro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol has a molecular weight of 3225.51 g/mol, XLogP of 27.87, 32 rotatable bonds, 1 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;[4-chloro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-morpholin-4-ylmethanone;4-[4-fluoro-6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;4-fluoro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-methoxy-6-[[8-methoxy-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(1-methylpyrazol-4-yl)quinoline;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol is sourced from PubChem (CID 159599920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159599920 — identifiers, structure, computed properties (public domain)
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