5-[2-(1-tert-butylpiperidin-4-yl)-4-ethyl-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine;5-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-3-[(2,3-ditert-butyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-cyclobutyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-6-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylpent-4-en-1-ynyl)phenyl]methoxy]pyridin-2-amine

C178H255N23O5S4 — CID 167709719

About 5-[2-(1-tert-butylpiperidin-4-yl)-4-ethyl-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine;5-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-3-[(2,3-ditert-butyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-cyclobutyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-6-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylpent-4-en-1-ynyl)phenyl]methoxy]pyridin-2-amine

5-[2-(1-tert-butylpiperidin-4-yl)-4-ethyl-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine;5-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-3-[(2,3-ditert-butyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-cyclobutyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-6-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylpent-4-en-1-ynyl)phenyl]methoxy]pyridin-2-amine (PubChem CID 167709719) has the molecular formula C178H255N23O5S4 and a molecular weight of 2925.42 g/mol. Its IUPAC name is 5-[2-(1-tert-butylpiperidin-4-yl)-4-ethyl-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine;5-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-3-[(2,3-ditert-butyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-cyclobutyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-6-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylpent-4-en-1-ynyl)phenyl]methoxy]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[2-(1-tert-butylpiperidin-4-yl)-4-ethyl-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine;5-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-3-[(2,3-ditert-butyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-cyclobutyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-6-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylpent-4-en-1-ynyl)phenyl]methoxy]pyridin-2-amine
• PubChem CID: 167709719
• Molecular Formula: C178H255N23O5S4
• Molecular Weight: 2925.42 g/mol
• Exact Mass: 2922.93
• IUPAC Name: 5-[2-(1-tert-butylpiperidin-4-yl)-4-ethyl-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine;5-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-3-[(2,3-ditert-butyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-cyclobutyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-6-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylpent-4-en-1-ynyl)phenyl]methoxy]pyridin-2-amine
• SMILES: C=CC(C)(C)C#Cc1cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c(C(C)(C)C)c(C(C)(C)C)c1.CC(C)(C)C#Cc1cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c(C(C)(C)C)c(C(C)(C)C)n1.CC(C)(C)c1nc(C2CCC2)cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c1C(C)(C)C.CC(C)(C)c1nccc(COc2cc(-c3ccc(C4CCN(C(C)(C)C)CC4)cn3)cnc2N)c1C(C)(C)C.CCc1nc(C2CCN(C(C)(C)C)CC2)sc1-c1cnc(N)c(OCc2cccc(C(C)(C)C)c2C(C)(C)C)c1
• InChI: InChI=1S/C39H54N4OS.C37H53N5OS.C35H51N5OS.C34H50N4OS.C33H47N5O/c1-13-39(11,12)17-14-26-20-29(33(37(5,6)7)30(21-26)36(2,3)4)25-44-31-22-28(23-41-34(31)40)32-24-42-35(45-32)27-15-18-43(19-16-27)38(8,9)10;1-34(2,3)16-13-27-19-26(30(35(4,5)6)31(41-27)36(7,8)9)23-43-28-20-25(21-39-32(28)38)29-22-40-33(44-29)24-14-17-42(18-15-24)37(10,11)12;1-33(2,3)29-25(17-26(22-11-10-12-22)39-30(29)34(4,5)6)21-41-27-18-24(19-37-31(27)36)28-20-38-32(42-28)23-13-15-40(16-14-23)35(7,8)9;1-11-26-29(40-31(37-26)22-15-17-38(18-16-22)34(8,9)10)24-19-27(30(35)36-20-24)39-21-23-13-12-14-25(32(2,3)4)28(23)33(5,6)7;1-31(2,3)28-24(12-15-35-29(28)32(4,5)6)21-39-27-18-25(20-37-30(27)34)26-11-10-23(19-36-26)22-13-16-38(17-14-22)33(7,8)9/h13,20-24,27H,1,15-16,18-19,25H2,2-12H3,(H2,40,41);19-22,24H,14-15,17-18,23H2,1-12H3,(H2,38,39);17-20,22-23H,10-16,21H2,1-9H3,(H2,36,37);12-14,19-20,22H,11,15-18,21H2,1-10H3,(H2,35,36);10-12,15,18-20,22H,13-14,16-17,21H2,1-9H3,(H2,34,37)
• InChIKey: ZQELUNZVGLHBPK-UHFFFAOYSA-N
• XLogP: 42.61
• TPSA: 360.02 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 28
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2925.42
LogP ≤ 5	42.61
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-tert-butylpiperidin-4-yl)-4-ethyl-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine;5-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-3-[(2,3-ditert-butyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-cyclobutyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-6-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylpent-4-en-1-ynyl)phenyl]methoxy]pyridin-2-amine?

The IUPAC name of 5-[2-(1-tert-butylpiperidin-4-yl)-4-ethyl-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine;5-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-3-[(2,3-ditert-butyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-cyclobutyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-6-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylpent-4-en-1-ynyl)phenyl]methoxy]pyridin-2-amine (CID 167709719) is 5-[2-(1-tert-butylpiperidin-4-yl)-4-ethyl-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine;5-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-3-[(2,3-ditert-butyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-cyclobutyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-6-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylpent-4-en-1-ynyl)phenyl]methoxy]pyridin-2-amine.

What is the SMILES notation for 5-[2-(1-tert-butylpiperidin-4-yl)-4-ethyl-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine;5-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-3-[(2,3-ditert-butyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-cyclobutyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-6-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylpent-4-en-1-ynyl)phenyl]methoxy]pyridin-2-amine?

The canonical SMILES for 5-[2-(1-tert-butylpiperidin-4-yl)-4-ethyl-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine;5-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-3-[(2,3-ditert-butyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-cyclobutyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-6-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylpent-4-en-1-ynyl)phenyl]methoxy]pyridin-2-amine is C=CC(C)(C)C#Cc1cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c(C(C)(C)C)c(C(C)(C)C)c1.CC(C)(C)C#Cc1cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c(C(C)(C)C)c(C(C)(C)C)n1.CC(C)(C)c1nc(C2CCC2)cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c1C(C)(C)C.CC(C)(C)c1nccc(COc2cc(-c3ccc(C4CCN(C(C)(C)C)CC4)cn3)cnc2N)c1C(C)(C)C.CCc1nc(C2CCN(C(C)(C)C)CC2)sc1-c1cnc(N)c(OCc2cccc(C(C)(C)C)c2C(C)(C)C)c1.

What is the InChIKey of 5-[2-(1-tert-butylpiperidin-4-yl)-4-ethyl-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine;5-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-3-[(2,3-ditert-butyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-cyclobutyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-6-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylpent-4-en-1-ynyl)phenyl]methoxy]pyridin-2-amine?

The InChIKey is ZQELUNZVGLHBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H54N4OS.C37H53N5OS.C35H51N5OS.C34H50N4OS.C33H47N5O/c1-13-39(11,12)17-14-26-20-29(33(37(5,6)7)30(21-26)36(2,3)4)25-44-31-22-28(23-41-34(31)40)32-24-42-35(45-32)27-15-18-43(19-16-27)38(8,9)10;1-34(2,3)16-13-27-19-26(30(35(4,5)6)31(41-27)36(7,8)9)23-43-28-20-25(21-39-32(28)38)29-22-40-33(44-29)24-14-17-42(18-15-24)37(10,11)12;1-33(2,3)29-25(17-26(22-11-10-12-22)39-30(29)34(4,5)6)21-41-27-18-24(19-37-31(27)36)28-20-38-32(42-28)23-13-15-40(16-14-23)35(7,8)9;1-11-26-29(40-31(37-26)22-15-17-38(18-16-22)34(8,9)10)24-19-27(30(35)36-20-24)39-21-23-13-12-14-25(32(2,3)4)28(23)33(5,6)7;1-31(2,3)28-24(12-15-35-29(28)32(4,5)6)21-39-27-18-25(20-37-30(27)34)26-11-10-23(19-36-26)22-13-16-38(17-14-22)33(7,8)9/h13,20-24,27H,1,15-16,18-19,25H2,2-12H3,(H2,40,41);19-22,24H,14-15,17-18,23H2,1-12H3,(H2,38,39);17-20,22-23H,10-16,21H2,1-9H3,(H2,36,37);12-14,19-20,22H,11,15-18,21H2,1-10H3,(H2,35,36);10-12,15,18-20,22H,13-14,16-17,21H2,1-9H3,(H2,34,37).

What are the key properties of 5-[2-(1-tert-butylpiperidin-4-yl)-4-ethyl-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine;5-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-3-[(2,3-ditert-butyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-cyclobutyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-6-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylpent-4-en-1-ynyl)phenyl]methoxy]pyridin-2-amine?

5-[2-(1-tert-butylpiperidin-4-yl)-4-ethyl-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine;5-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-3-[(2,3-ditert-butyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-cyclobutyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-6-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylpent-4-en-1-ynyl)phenyl]methoxy]pyridin-2-amine has a molecular weight of 2925.42 g/mol, XLogP of 42.61, 28 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(1-tert-butylpiperidin-4-yl)-4-ethyl-1,3-thiazol-5-yl]-3-[(2,3-ditert-butylphenyl)methoxy]pyridin-2-amine;5-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-3-[(2,3-ditert-butyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-cyclobutyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-6-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylpent-4-en-1-ynyl)phenyl]methoxy]pyridin-2-amine is sourced from PubChem (CID 167709719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).