4-[3-[[2-amino-5-(2-cyclohexyl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;3-[[3-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-fluorophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-methylphenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-morpholin-4-ylcyclohexyl)-1,3-thiazol-5-yl]pyridin-2-amine
C163H192FN23O8S6 — CID 159453533
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-[3-[[2-amino-5-(2-cyclohexyl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;3-[[3-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-fluorophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-methylphenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-morpholin-4-ylcyclohexyl)-1,3-thiazol-5-yl]pyridin-2-amine
SMILESCC(C)(C)C#Cc1cccc(COc2cc(-c3cnc(C4CCC(N5CCOCC5)CC4)s3)cnc2N)c1.CC(C)(O)C#Cc1cccc(COc2cc(-c3cnc(C4CCCCC4)s3)cnc2N)c1.CC(C)c1ncc(-c2cnc(N)c(OCc3cc(C#CC(C)(C)C)cc(CN)c3)c2)s1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cc(F)cc(C#CC(C)(C)C)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC(C)(C)C)c4)c3)s2)C1.Cc1cc(C#CC(C)(C)C)cc(COc2cc(-c3cnc(C4CCN(C)CC4)s3)cnc2N)c1
InChIInChI=1S/C31H38N4O2S.C28H34N4OS.C27H31FN4OS.C26H30N4OS.C26H29N3O2S.C25H30N4OS/c1-31(2,3)12-11-22-5-4-6-23(17-22)21-37-27-18-25(19-33-29(27)32)28-20-34-30(38-28)24-7-9-26(10-8-24)35-13-15-36-16-14-35;1-19-12-20(6-9-28(2,3)4)14-21(13-19)18-33-24-15-23(16-30-26(24)29)25-17-31-27(34-25)22-7-10-32(5)11-8-22;1-27(2,3)8-5-18-11-19(13-22(28)12-18)17-33-23-14-21(15-30-25(23)29)24-16-31-26(34-24)20-6-9-32(4)10-7-20;1-26(2,3)10-8-18-6-5-7-19(12-18)17-31-22-13-21(14-28-24(22)27)23-15-29-25(32-23)20-9-11-30(4)16-20;1-26(2,30)12-11-18-7-6-8-19(13-18)17-31-22-14-21(15-28-24(22)27)23-16-29-25(32-23)20-9-4-3-5-10-20;1-16(2)24-29-14-22(31-24)20-11-21(23(27)28-13-20)30-15-19-9-17(6-7-25(3,4)5)8-18(10-19)12-26/h4-6,17-20,24,26H,7-10,13-16,21H2,1-3H3,(H2,32,33);12-17,22H,7-8,10-11,18H2,1-5H3,(H2,29,30);11-16,20H,6-7,9-10,17H2,1-4H3,(H2,29,30);5-7,12-15,20H,9,11,16-17H2,1-4H3,(H2,27,28);6-8,13-16,20,30H,3-5,9-10,17H2,1-2H3,(H2,27,28);8-11,13-14,16H,12,15,26H2,1-5H3,(H2,27,28)
InChIKeyLTRILNDVGNDSAH-UHFFFAOYSA-N
MW2812.88 g/mol
LogP33.78
Rot. Bonds32
About 4-[3-[[2-amino-5-(2-cyclohexyl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;3-[[3-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-fluorophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-methylphenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-morpholin-4-ylcyclohexyl)-1,3-thiazol-5-yl]pyridin-2-amine
4-[3-[[2-amino-5-(2-cyclohexyl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;3-[[3-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-fluorophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-methylphenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-morpholin-4-ylcyclohexyl)-1,3-thiazol-5-yl]pyridin-2-amine (PubChem CID 159453533) has the molecular formula C163H192FN23O8S6 and a molecular weight of 2812.88 g/mol. Its IUPAC name is 4-[3-[[2-amino-5-(2-cyclohexyl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;3-[[3-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-fluorophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-methylphenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-morpholin-4-ylcyclohexyl)-1,3-thiazol-5-yl]pyridin-2-amine.
Molecular Properties
| Compound Name | 4-[3-[[2-amino-5-(2-cyclohexyl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;3-[[3-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-fluorophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-methylphenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-morpholin-4-ylcyclohexyl)-1,3-thiazol-5-yl]pyridin-2-amine |
|---|---|
| PubChem CID | 159453533 |
| Molecular Formula | C163H192FN23O8S6 |
| Molecular Weight | 2812.88 g/mol |
| Exact Mass | 2810.36 |
| IUPAC Name | 4-[3-[[2-amino-5-(2-cyclohexyl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;3-[[3-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-fluorophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-methylphenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-morpholin-4-ylcyclohexyl)-1,3-thiazol-5-yl]pyridin-2-amine |
| SMILES | CC(C)(C)C#Cc1cccc(COc2cc(-c3cnc(C4CCC(N5CCOCC5)CC4)s3)cnc2N)c1.CC(C)(O)C#Cc1cccc(COc2cc(-c3cnc(C4CCCCC4)s3)cnc2N)c1.CC(C)c1ncc(-c2cnc(N)c(OCc3cc(C#CC(C)(C)C)cc(CN)c3)c2)s1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cc(F)cc(C#CC(C)(C)C)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC(C)(C)C)c4)c3)s2)C1.Cc1cc(C#CC(C)(C)C)cc(COc2cc(-c3cnc(C4CCN(C)CC4)s3)cnc2N)c1 |
| InChI | InChI=1S/C31H38N4O2S.C28H34N4OS.C27H31FN4OS.C26H30N4OS.C26H29N3O2S.C25H30N4OS/c1-31(2,3)12-11-22-5-4-6-23(17-22)21-37-27-18-25(19-33-29(27)32)28-20-34-30(38-28)24-7-9-26(10-8-24)35-13-15-36-16-14-35;1-19-12-20(6-9-28(2,3)4)14-21(13-19)18-33-24-15-23(16-30-26(24)29)25-17-31-27(34-25)22-7-10-32(5)11-8-22;1-27(2,3)8-5-18-11-19(13-22(28)12-18)17-33-23-14-21(15-30-25(23)29)24-16-31-26(34-24)20-6-9-32(4)10-7-20;1-26(2,3)10-8-18-6-5-7-19(12-18)17-31-22-13-21(14-28-24(22)27)23-15-29-25(32-23)20-9-11-30(4)16-20;1-26(2,30)12-11-18-7-6-8-19(13-18)17-31-22-14-21(15-28-24(22)27)23-16-29-25(32-23)20-9-4-3-5-10-20;1-16(2)24-29-14-22(31-24)20-11-21(23(27)28-13-20)30-15-19-9-17(6-7-25(3,4)5)8-18(10-19)12-26/h4-6,17-20,24,26H,7-10,13-16,21H2,1-3H3,(H2,32,33);12-17,22H,7-8,10-11,18H2,1-5H3,(H2,29,30);11-16,20H,6-7,9-10,17H2,1-4H3,(H2,29,30);5-7,12-15,20H,9,11,16-17H2,1-4H3,(H2,27,28);6-8,13-16,20,30H,3-5,9-10,17H2,1-2H3,(H2,27,28);8-11,13-14,16H,12,15,26H2,1-5H3,(H2,27,28) |
| InChIKey | LTRILNDVGNDSAH-UHFFFAOYSA-N |
| XLogP | 33.78 |
| TPSA | 434.62 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 201 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2812.88 |
| LogP ≤ 5 | 33.78 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 37 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 4-[3-[[2-amino-5-(2-cyclohexyl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;3-[[3-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-fluorophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-methylphenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-morpholin-4-ylcyclohexyl)-1,3-thiazol-5-yl]pyridin-2-amine?
The IUPAC name of 4-[3-[[2-amino-5-(2-cyclohexyl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;3-[[3-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-fluorophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-methylphenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-morpholin-4-ylcyclohexyl)-1,3-thiazol-5-yl]pyridin-2-amine (CID 159453533) is 4-[3-[[2-amino-5-(2-cyclohexyl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;3-[[3-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-fluorophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-methylphenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-morpholin-4-ylcyclohexyl)-1,3-thiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-[[2-amino-5-(2-cyclohexyl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;3-[[3-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-fluorophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-methylphenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-morpholin-4-ylcyclohexyl)-1,3-thiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-[[2-amino-5-(2-cyclohexyl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;3-[[3-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-fluorophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-methylphenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-morpholin-4-ylcyclohexyl)-1,3-thiazol-5-yl]pyridin-2-amine is CC(C)(C)C#Cc1cccc(COc2cc(-c3cnc(C4CCC(N5CCOCC5)CC4)s3)cnc2N)c1.CC(C)(O)C#Cc1cccc(COc2cc(-c3cnc(C4CCCCC4)s3)cnc2N)c1.CC(C)c1ncc(-c2cnc(N)c(OCc3cc(C#CC(C)(C)C)cc(CN)c3)c2)s1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cc(F)cc(C#CC(C)(C)C)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC(C)(C)C)c4)c3)s2)C1.Cc1cc(C#CC(C)(C)C)cc(COc2cc(-c3cnc(C4CCN(C)CC4)s3)cnc2N)c1.
What is the InChIKey of 4-[3-[[2-amino-5-(2-cyclohexyl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;3-[[3-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-fluorophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-methylphenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-morpholin-4-ylcyclohexyl)-1,3-thiazol-5-yl]pyridin-2-amine?
The InChIKey is LTRILNDVGNDSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O2S.C28H34N4OS.C27H31FN4OS.C26H30N4OS.C26H29N3O2S.C25H30N4OS/c1-31(2,3)12-11-22-5-4-6-23(17-22)21-37-27-18-25(19-33-29(27)32)28-20-34-30(38-28)24-7-9-26(10-8-24)35-13-15-36-16-14-35;1-19-12-20(6-9-28(2,3)4)14-21(13-19)18-33-24-15-23(16-30-26(24)29)25-17-31-27(34-25)22-7-10-32(5)11-8-22;1-27(2,3)8-5-18-11-19(13-22(28)12-18)17-33-23-14-21(15-30-25(23)29)24-16-31-26(34-24)20-6-9-32(4)10-7-20;1-26(2,3)10-8-18-6-5-7-19(12-18)17-31-22-13-21(14-28-24(22)27)23-15-29-25(32-23)20-9-11-30(4)16-20;1-26(2,30)12-11-18-7-6-8-19(13-18)17-31-22-14-21(15-28-24(22)27)23-16-29-25(32-23)20-9-4-3-5-10-20;1-16(2)24-29-14-22(31-24)20-11-21(23(27)28-13-20)30-15-19-9-17(6-7-25(3,4)5)8-18(10-19)12-26/h4-6,17-20,24,26H,7-10,13-16,21H2,1-3H3,(H2,32,33);12-17,22H,7-8,10-11,18H2,1-5H3,(H2,29,30);11-16,20H,6-7,9-10,17H2,1-4H3,(H2,29,30);5-7,12-15,20H,9,11,16-17H2,1-4H3,(H2,27,28);6-8,13-16,20,30H,3-5,9-10,17H2,1-2H3,(H2,27,28);8-11,13-14,16H,12,15,26H2,1-5H3,(H2,27,28).
What are the key properties of 4-[3-[[2-amino-5-(2-cyclohexyl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;3-[[3-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-fluorophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-methylphenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-morpholin-4-ylcyclohexyl)-1,3-thiazol-5-yl]pyridin-2-amine?
4-[3-[[2-amino-5-(2-cyclohexyl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;3-[[3-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-fluorophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-methylphenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-morpholin-4-ylcyclohexyl)-1,3-thiazol-5-yl]pyridin-2-amine has a molecular weight of 2812.88 g/mol, XLogP of 33.78, 32 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[2-amino-5-(2-cyclohexyl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;3-[[3-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-fluorophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)-5-methylphenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-morpholin-4-ylcyclohexyl)-1,3-thiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 159453533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159453533 — identifiers, structure, computed properties (public domain)
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