5-cyclopropyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;N,N-dimethyl-3-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]propanamide;1-[[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;2-methoxy-1-[4-[2-[[5-(3-methylimidazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-propyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-pyrimidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
C144H153N45O10S8 — CID 158617887
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-cyclopropyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;N,N-dimethyl-3-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]propanamide;1-[[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;2-methoxy-1-[4-[2-[[5-(3-methylimidazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-propyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-pyrimidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
SMILESCCCc1ccc2nc(Nc3cc(N4CCN(C(=O)COC)CC4)ccn3)sc2n1.CCc1ccc2nc(Nc3cc(CN4CCCC4=O)ccn3)sc2n1.CN(C)C(=O)CCc1ccnc(Nc2nc3ccc(-c4ccncc4)nc3s2)c1.COCC(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5ccncn5)nc4s3)c2)CC1.COCC(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5cncn5C)nc4s3)c2)CC1.COCC(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5cncs5)nc4s3)c2)CC1.c1cc(CN2CCCC2)cc(Nc2nc3ccc(C4CC4)nc3s2)n1
InChIInChI=1S/C22H24N8O2S.C22H22N8O2S.C21H21N7O2S2.C21H26N6O2S.C21H20N6OS.C19H21N5S.C18H19N5OS/c1-28-14-23-12-18(28)16-3-4-17-21(25-16)33-22(26-17)27-19-11-15(5-6-24-19)29-7-9-30(10-8-29)20(31)13-32-2;1-32-13-20(31)30-10-8-29(9-11-30)15-4-7-24-19(12-15)28-22-27-18-3-2-17(26-21(18)33-22)16-5-6-23-14-25-16;1-30-12-19(29)28-8-6-27(7-9-28)14-4-5-23-18(10-14)26-21-25-16-3-2-15(24-20(16)32-21)17-11-22-13-31-17;1-3-4-15-5-6-17-20(23-15)30-21(24-17)25-18-13-16(7-8-22-18)26-9-11-27(12-10-26)19(28)14-29-2;1-27(2)19(28)6-3-14-7-12-23-18(13-14)26-21-25-17-5-4-16(24-20(17)29-21)15-8-10-22-11-9-15;1-2-10-24(9-1)12-13-7-8-20-17(11-13)23-19-22-16-6-5-15(14-3-4-14)21-18(16)25-19;1-2-13-5-6-14-17(20-13)25-18(21-14)22-15-10-12(7-8-19-15)11-23-9-3-4-16(23)24/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,26,27);2-7,12,14H,8-11,13H2,1H3,(H,24,27,28);2-5,10-11,13H,6-9,12H2,1H3,(H,23,25,26);5-8,13H,3-4,9-12,14H2,1-2H3,(H,22,24,25);4-5,7-13H,3,6H2,1-2H3,(H,23,25,26);5-8,11,14H,1-4,9-10,12H2,(H,20,22,23);5-8,10H,2-4,9,11H2,1H3,(H,19,21,22)
InChIKeyHXPSGIXSTAURKH-UHFFFAOYSA-N
MW2930.65 g/mol
LogP23.16
Rot. Bonds41
About 5-cyclopropyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;N,N-dimethyl-3-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]propanamide;1-[[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;2-methoxy-1-[4-[2-[[5-(3-methylimidazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-propyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-pyrimidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
5-cyclopropyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;N,N-dimethyl-3-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]propanamide;1-[[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;2-methoxy-1-[4-[2-[[5-(3-methylimidazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-propyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-pyrimidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 158617887) has the molecular formula C144H153N45O10S8 and a molecular weight of 2930.65 g/mol. Its IUPAC name is 5-cyclopropyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;N,N-dimethyl-3-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]propanamide;1-[[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;2-methoxy-1-[4-[2-[[5-(3-methylimidazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-propyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-pyrimidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone.
Molecular Properties
| Compound Name | 5-cyclopropyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;N,N-dimethyl-3-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]propanamide;1-[[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;2-methoxy-1-[4-[2-[[5-(3-methylimidazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-propyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-pyrimidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone |
|---|---|
| PubChem CID | 158617887 |
| Molecular Formula | C144H153N45O10S8 |
| Molecular Weight | 2930.65 g/mol |
| Exact Mass | 2928.06 |
| IUPAC Name | 5-cyclopropyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;N,N-dimethyl-3-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]propanamide;1-[[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;2-methoxy-1-[4-[2-[[5-(3-methylimidazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-propyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-pyrimidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone |
| SMILES | CCCc1ccc2nc(Nc3cc(N4CCN(C(=O)COC)CC4)ccn3)sc2n1.CCc1ccc2nc(Nc3cc(CN4CCCC4=O)ccn3)sc2n1.CN(C)C(=O)CCc1ccnc(Nc2nc3ccc(-c4ccncc4)nc3s2)c1.COCC(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5ccncn5)nc4s3)c2)CC1.COCC(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5cncn5C)nc4s3)c2)CC1.COCC(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5cncs5)nc4s3)c2)CC1.c1cc(CN2CCCC2)cc(Nc2nc3ccc(C4CC4)nc3s2)n1 |
| InChI | InChI=1S/C22H24N8O2S.C22H22N8O2S.C21H21N7O2S2.C21H26N6O2S.C21H20N6OS.C19H21N5S.C18H19N5OS/c1-28-14-23-12-18(28)16-3-4-17-21(25-16)33-22(26-17)27-19-11-15(5-6-24-19)29-7-9-30(10-8-29)20(31)13-32-2;1-32-13-20(31)30-10-8-29(9-11-30)15-4-7-24-19(12-15)28-22-27-18-3-2-17(26-21(18)33-22)16-5-6-23-14-25-16;1-30-12-19(29)28-8-6-27(7-9-28)14-4-5-23-18(10-14)26-21-25-16-3-2-15(24-20(16)32-21)17-11-22-13-31-17;1-3-4-15-5-6-17-20(23-15)30-21(24-17)25-18-13-16(7-8-22-18)26-9-11-27(12-10-26)19(28)14-29-2;1-27(2)19(28)6-3-14-7-12-23-18(13-14)26-21-25-17-5-4-16(24-20(17)29-21)15-8-10-22-11-9-15;1-2-10-24(9-1)12-13-7-8-20-17(11-13)23-19-22-16-6-5-15(14-3-4-14)21-18(16)25-19;1-2-13-5-6-14-17(20-13)25-18(21-14)22-15-10-12(7-8-19-15)11-23-9-3-4-16(23)24/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,26,27);2-7,12,14H,8-11,13H2,1H3,(H,24,27,28);2-5,10-11,13H,6-9,12H2,1H3,(H,23,25,26);5-8,13H,3-4,9-12,14H2,1-2H3,(H,22,24,25);4-5,7-13H,3,6H2,1-2H3,(H,23,25,26);5-8,11,14H,1-4,9-10,12H2,(H,20,22,23);5-8,10H,2-4,9,11H2,1H3,(H,19,21,22) |
| InChIKey | HXPSGIXSTAURKH-UHFFFAOYSA-N |
| XLogP | 23.16 |
| TPSA | 599.26 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 57 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 207 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2930.65 |
| LogP ≤ 5 | 23.16 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 57 |
Frequently Asked Questions
What is the IUPAC name of 5-cyclopropyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;N,N-dimethyl-3-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]propanamide;1-[[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;2-methoxy-1-[4-[2-[[5-(3-methylimidazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-propyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-pyrimidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 5-cyclopropyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;N,N-dimethyl-3-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]propanamide;1-[[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;2-methoxy-1-[4-[2-[[5-(3-methylimidazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-propyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-pyrimidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone (CID 158617887) is 5-cyclopropyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;N,N-dimethyl-3-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]propanamide;1-[[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;2-methoxy-1-[4-[2-[[5-(3-methylimidazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-propyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-pyrimidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 5-cyclopropyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;N,N-dimethyl-3-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]propanamide;1-[[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;2-methoxy-1-[4-[2-[[5-(3-methylimidazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-propyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-pyrimidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 5-cyclopropyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;N,N-dimethyl-3-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]propanamide;1-[[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;2-methoxy-1-[4-[2-[[5-(3-methylimidazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-propyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-pyrimidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone is CCCc1ccc2nc(Nc3cc(N4CCN(C(=O)COC)CC4)ccn3)sc2n1.CCc1ccc2nc(Nc3cc(CN4CCCC4=O)ccn3)sc2n1.CN(C)C(=O)CCc1ccnc(Nc2nc3ccc(-c4ccncc4)nc3s2)c1.COCC(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5ccncn5)nc4s3)c2)CC1.COCC(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5cncn5C)nc4s3)c2)CC1.COCC(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5cncs5)nc4s3)c2)CC1.c1cc(CN2CCCC2)cc(Nc2nc3ccc(C4CC4)nc3s2)n1.
What is the InChIKey of 5-cyclopropyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;N,N-dimethyl-3-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]propanamide;1-[[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;2-methoxy-1-[4-[2-[[5-(3-methylimidazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-propyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-pyrimidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is HXPSGIXSTAURKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2S.C22H22N8O2S.C21H21N7O2S2.C21H26N6O2S.C21H20N6OS.C19H21N5S.C18H19N5OS/c1-28-14-23-12-18(28)16-3-4-17-21(25-16)33-22(26-17)27-19-11-15(5-6-24-19)29-7-9-30(10-8-29)20(31)13-32-2;1-32-13-20(31)30-10-8-29(9-11-30)15-4-7-24-19(12-15)28-22-27-18-3-2-17(26-21(18)33-22)16-5-6-23-14-25-16;1-30-12-19(29)28-8-6-27(7-9-28)14-4-5-23-18(10-14)26-21-25-16-3-2-15(24-20(16)32-21)17-11-22-13-31-17;1-3-4-15-5-6-17-20(23-15)30-21(24-17)25-18-13-16(7-8-22-18)26-9-11-27(12-10-26)19(28)14-29-2;1-27(2)19(28)6-3-14-7-12-23-18(13-14)26-21-25-17-5-4-16(24-20(17)29-21)15-8-10-22-11-9-15;1-2-10-24(9-1)12-13-7-8-20-17(11-13)23-19-22-16-6-5-15(14-3-4-14)21-18(16)25-19;1-2-13-5-6-14-17(20-13)25-18(21-14)22-15-10-12(7-8-19-15)11-23-9-3-4-16(23)24/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,26,27);2-7,12,14H,8-11,13H2,1H3,(H,24,27,28);2-5,10-11,13H,6-9,12H2,1H3,(H,23,25,26);5-8,13H,3-4,9-12,14H2,1-2H3,(H,22,24,25);4-5,7-13H,3,6H2,1-2H3,(H,23,25,26);5-8,11,14H,1-4,9-10,12H2,(H,20,22,23);5-8,10H,2-4,9,11H2,1H3,(H,19,21,22).
What are the key properties of 5-cyclopropyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;N,N-dimethyl-3-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]propanamide;1-[[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;2-methoxy-1-[4-[2-[[5-(3-methylimidazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-propyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-pyrimidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone?
5-cyclopropyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;N,N-dimethyl-3-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]propanamide;1-[[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;2-methoxy-1-[4-[2-[[5-(3-methylimidazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-propyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-pyrimidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 2930.65 g/mol, XLogP of 23.16, 41 rotatable bonds, 7 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;N,N-dimethyl-3-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]propanamide;1-[[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;2-methoxy-1-[4-[2-[[5-(3-methylimidazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-propyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[(5-pyrimidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;2-methoxy-1-[4-[2-[[5-(1,3-thiazol-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 158617887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158617887 — identifiers, structure, computed properties (public domain)
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