2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-ethynyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-methyl-4-pyridinyl)methoxy]pyridin-2-amine

C184H255N23O9S5 — CID 167549882

IUPAC2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-ethynyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-methyl-4-pyridinyl)methoxy]pyridin-2-amine
SMILESC#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)c1cc(C#CC2(O)CCCC2=O)cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c1C(C)(C)C.CC1(C#Cc2cc(COc3cc(-c4cnc(C5CCN(C(C)(C)C)CC5)s4)cnc3N)c(C(C)(C)C)c(C(C)(C)C)c2)CCCCC1.CN1CCC(O)(C#Cc2cc(COc3cc(-c4cnc(C5CCN(C(C)(C)C)CC5)s4)cnc3N)c(C(C)(C)C)c(C(C)(C)C)c2)C1=O.Cc1cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c(C(C)(C)C)c(C(C)(C)C)n1
InChIInChI=1S/C41H58N4OS.C39H53N5O3S.C39H52N4O3S.C33H45N5OS.C32H47N5OS/c1-38(2,3)32-23-28(14-19-41(10)17-12-11-13-18-41)22-31(35(32)39(4,5)6)27-46-33-24-30(25-43-36(33)42)34-26-44-37(47-34)29-15-20-45(21-16-29)40(7,8)9;1-36(2,3)29-20-25(11-14-39(46)15-18-43(10)35(39)45)19-28(32(29)37(4,5)6)24-47-30-21-27(22-41-33(30)40)31-23-42-34(48-31)26-12-16-44(17-13-26)38(7,8)9;1-36(2,3)29-20-25(12-16-39(45)15-10-11-32(39)44)19-28(33(29)37(4,5)6)24-46-30-21-27(22-41-34(30)40)31-23-42-35(47-31)26-13-17-43(18-14-26)38(7,8)9;1-11-24-16-23(27(31(2,3)4)28(37-24)32(5,6)7)20-39-25-17-22(18-35-29(25)34)26-19-36-30(40-26)21-12-14-38(15-13-21)33(8,9)10;1-20-15-23(26(30(2,3)4)27(36-20)31(5,6)7)19-38-24-16-22(17-34-28(24)33)25-18-35-29(39-25)21-11-13-37(14-12-21)32(8,9)10/h22-26,29H,11-13,15-18,20-21,27H2,1-10H3,(H2,42,43);19-23,26,46H,12-13,15-18,24H2,1-10H3,(H2,40,41);19-23,26,45H,10-11,13-15,17-18,24H2,1-9H3,(H2,40,41);1,16-19,21H,12-15,20H2,2-10H3,(H2,34,35);15-18,21H,11-14,19H2,1-10H3,(H2,33,34)
InChIKeyCGOZBOFFJPZXIS-UHFFFAOYSA-N
MW3093.55 g/mol
LogP39.88
Rot. Bonds25

About 2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-ethynyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-methyl-4-pyridinyl)methoxy]pyridin-2-amine

2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-ethynyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-methyl-4-pyridinyl)methoxy]pyridin-2-amine (PubChem CID 167549882) has the molecular formula C184H255N23O9S5 and a molecular weight of 3093.55 g/mol. Its IUPAC name is 2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-ethynyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-methyl-4-pyridinyl)methoxy]pyridin-2-amine.

Molecular Properties

Compound Name2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-ethynyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-methyl-4-pyridinyl)methoxy]pyridin-2-amine
PubChem CID167549882
Molecular FormulaC184H255N23O9S5
Molecular Weight3093.55 g/mol
Exact Mass3090.88
IUPAC Name2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-ethynyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-methyl-4-pyridinyl)methoxy]pyridin-2-amine
SMILESC#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)c1cc(C#CC2(O)CCCC2=O)cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c1C(C)(C)C.CC1(C#Cc2cc(COc3cc(-c4cnc(C5CCN(C(C)(C)C)CC5)s4)cnc3N)c(C(C)(C)C)c(C(C)(C)C)c2)CCCCC1.CN1CCC(O)(C#Cc2cc(COc3cc(-c4cnc(C5CCN(C(C)(C)C)CC5)s4)cnc3N)c(C(C)(C)C)c(C(C)(C)C)c2)C1=O.Cc1cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c(C(C)(C)C)c(C(C)(C)C)n1
InChIInChI=1S/C41H58N4OS.C39H53N5O3S.C39H52N4O3S.C33H45N5OS.C32H47N5OS/c1-38(2,3)32-23-28(14-19-41(10)17-12-11-13-18-41)22-31(35(32)39(4,5)6)27-46-33-24-30(25-43-36(33)42)34-26-44-37(47-34)29-15-20-45(21-16-29)40(7,8)9;1-36(2,3)29-20-25(11-14-39(46)15-18-43(10)35(39)45)19-28(32(29)37(4,5)6)24-47-30-21-27(22-41-33(30)40)31-23-42-34(48-31)26-12-16-44(17-13-26)38(7,8)9;1-36(2,3)29-20-25(12-16-39(45)15-10-11-32(39)44)19-28(33(29)37(4,5)6)24-46-30-21-27(22-41-34(30)40)31-23-42-35(47-31)26-13-17-43(18-14-26)38(7,8)9;1-11-24-16-23(27(31(2,3)4)28(37-24)32(5,6)7)20-39-25-17-22(18-35-29(25)34)26-19-36-30(40-26)21-12-14-38(15-13-21)33(8,9)10;1-20-15-23(26(30(2,3)4)27(36-20)31(5,6)7)19-38-24-16-22(17-34-28(24)33)25-18-35-29(39-25)21-11-13-37(14-12-21)32(8,9)10/h22-26,29H,11-13,15-18,20-21,27H2,1-10H3,(H2,42,43);19-23,26,46H,12-13,15-18,24H2,1-10H3,(H2,40,41);19-23,26,45H,10-11,13-15,17-18,24H2,1-9H3,(H2,40,41);1,16-19,21H,12-15,20H2,2-10H3,(H2,34,35);15-18,21H,11-14,19H2,1-10H3,(H2,33,34)
InChIKeyCGOZBOFFJPZXIS-UHFFFAOYSA-N
XLogP39.88
TPSA424.97 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds25
Heavy Atoms221
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003093.55
LogP ≤ 539.88
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-ethynyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-methyl-4-pyridinyl)methoxy]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-ethynyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-methyl-4-pyridinyl)methoxy]pyridin-2-amine?
The IUPAC name of 2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-ethynyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-methyl-4-pyridinyl)methoxy]pyridin-2-amine (CID 167549882) is 2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-ethynyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-methyl-4-pyridinyl)methoxy]pyridin-2-amine.
What is the SMILES notation for 2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-ethynyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-methyl-4-pyridinyl)methoxy]pyridin-2-amine?
The canonical SMILES for 2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-ethynyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-methyl-4-pyridinyl)methoxy]pyridin-2-amine is 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)c1cc(C#CC2(O)CCCC2=O)cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c1C(C)(C)C.CC1(C#Cc2cc(COc3cc(-c4cnc(C5CCN(C(C)(C)C)CC5)s4)cnc3N)c(C(C)(C)C)c(C(C)(C)C)c2)CCCCC1.CN1CCC(O)(C#Cc2cc(COc3cc(-c4cnc(C5CCN(C(C)(C)C)CC5)s4)cnc3N)c(C(C)(C)C)c(C(C)(C)C)c2)C1=O.Cc1cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c(C(C)(C)C)c(C(C)(C)C)n1.
What is the InChIKey of 2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-ethynyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-methyl-4-pyridinyl)methoxy]pyridin-2-amine?
The InChIKey is CGOZBOFFJPZXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H58N4OS.C39H53N5O3S.C39H52N4O3S.C33H45N5OS.C32H47N5OS/c1-38(2,3)32-23-28(14-19-41(10)17-12-11-13-18-41)22-31(35(32)39(4,5)6)27-46-33-24-30(25-43-36(33)42)34-26-44-37(47-34)29-15-20-45(21-16-29)40(7,8)9;1-36(2,3)29-20-25(11-14-39(46)15-18-43(10)35(39)45)19-28(32(29)37(4,5)6)24-47-30-21-27(22-41-33(30)40)31-23-42-34(48-31)26-12-16-44(17-13-26)38(7,8)9;1-36(2,3)29-20-25(12-16-39(45)15-10-11-32(39)44)19-28(33(29)37(4,5)6)24-46-30-21-27(22-41-34(30)40)31-23-42-35(47-31)26-13-17-43(18-14-26)38(7,8)9;1-11-24-16-23(27(31(2,3)4)28(37-24)32(5,6)7)20-39-25-17-22(18-35-29(25)34)26-19-36-30(40-26)21-12-14-38(15-13-21)33(8,9)10;1-20-15-23(26(30(2,3)4)27(36-20)31(5,6)7)19-38-24-16-22(17-34-28(24)33)25-18-35-29(39-25)21-11-13-37(14-12-21)32(8,9)10/h22-26,29H,11-13,15-18,20-21,27H2,1-10H3,(H2,42,43);19-23,26,46H,12-13,15-18,24H2,1-10H3,(H2,40,41);19-23,26,45H,10-11,13-15,17-18,24H2,1-9H3,(H2,40,41);1,16-19,21H,12-15,20H2,2-10H3,(H2,34,35);15-18,21H,11-14,19H2,1-10H3,(H2,33,34).
What are the key properties of 2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-ethynyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-methyl-4-pyridinyl)methoxy]pyridin-2-amine?
2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-ethynyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-methyl-4-pyridinyl)methoxy]pyridin-2-amine has a molecular weight of 3093.55 g/mol, XLogP of 39.88, 25 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-ethynyl-4-pyridinyl)methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[(2,3-ditert-butyl-6-methyl-4-pyridinyl)methoxy]pyridin-2-amine is sourced from PubChem (CID 167549882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).