1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[2-chloro-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine

C182H203ClF2N28O10S6 — CID 160801156

IUPAC1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[2-chloro-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine
SMILESCC(C)(C)C#Cc1ccc(F)c(COc2cc(-c3cnc(C4CCNCC4)s3)cnc2N)c1.CC(C)(C)C#Cc1cccc(COc2cc(-c3cnc(C4CCCCN4)s3)cnc2N)c1.CC(C)(C)C#Cc1cccc(COc2cc(-c3cnc(C4CCCNC4)s3)cnc2N)c1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cc(C#CC(C)(C)C)ccc4Cl)c3)s2)CC1.CN1CCC(n2cc(-c3cnc(N)c(OCc4cc(C#CC(C)(C)C)ccc4F)c3)cn2)CC1.Nc1ncc(-c2cnc(C3CCNCC3)s2)cc1OCc1cccc(C#CC2(O)CC2)c1.Nc1ncc(-c2cnc(C3CCOCC3)s2)cc1OCc1cccc(C#CC2(O)CC2)c1
InChIInChI=1S/C27H31ClN4OS.C27H32FN5O.C26H29FN4OS.2C26H30N4OS.C25H26N4O2S.C25H25N3O3S/c1-27(2,3)10-7-18-5-6-22(28)21(13-18)17-33-23-14-20(15-30-25(23)29)24-16-31-26(34-24)19-8-11-32(4)12-9-19;1-27(2,3)10-7-19-5-6-24(28)21(13-19)18-34-25-14-20(15-30-26(25)29)22-16-31-33(17-22)23-8-11-32(4)12-9-23;1-26(2,3)9-6-17-4-5-21(27)20(12-17)16-32-22-13-19(14-30-24(22)28)23-15-31-25(33-23)18-7-10-29-11-8-18;1-26(2,3)10-9-18-6-4-7-19(12-18)17-31-22-13-21(15-29-24(22)27)23-16-30-25(32-23)20-8-5-11-28-14-20;1-26(2,3)11-10-18-7-6-8-19(13-18)17-31-22-14-20(15-29-24(22)27)23-16-30-25(32-23)21-9-4-5-12-28-21;26-23-21(31-16-18-3-1-2-17(12-18)4-7-25(30)8-9-25)13-20(14-28-23)22-15-29-24(32-22)19-5-10-27-11-6-19;26-23-21(31-16-18-3-1-2-17(12-18)4-7-25(29)8-9-25)13-20(14-27-23)22-15-28-24(32-22)19-5-10-30-11-6-19/h5-6,13-16,19H,8-9,11-12,17H2,1-4H3,(H2,29,30);5-6,13-17,23H,8-9,11-12,18H2,1-4H3,(H2,29,30);4-5,12-15,18,29H,7-8,10-11,16H2,1-3H3,(H2,28,30);4,6-7,12-13,15-16,20,28H,5,8,11,14,17H2,1-3H3,(H2,27,29);6-8,13-16,21,28H,4-5,9,12,17H2,1-3H3,(H2,27,29);1-3,12-15,19,27,30H,5-6,8-11,16H2,(H2,26,28);1-3,12-15,19,29H,5-6,8-11,16H2,(H2,26,27)
InChIKeySDBXSPGXQDSJIO-UHFFFAOYSA-N
MW3208.66 g/mol
LogP35.16
Rot. Bonds35

About 1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[2-chloro-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine

1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[2-chloro-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine (PubChem CID 160801156) has the molecular formula C182H203ClF2N28O10S6 and a molecular weight of 3208.66 g/mol. Its IUPAC name is 1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[2-chloro-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound Name1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[2-chloro-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine
PubChem CID160801156
Molecular FormulaC182H203ClF2N28O10S6
Molecular Weight3208.66 g/mol
Exact Mass3205.42
IUPAC Name1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[2-chloro-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine
SMILESCC(C)(C)C#Cc1ccc(F)c(COc2cc(-c3cnc(C4CCNCC4)s3)cnc2N)c1.CC(C)(C)C#Cc1cccc(COc2cc(-c3cnc(C4CCCCN4)s3)cnc2N)c1.CC(C)(C)C#Cc1cccc(COc2cc(-c3cnc(C4CCCNC4)s3)cnc2N)c1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cc(C#CC(C)(C)C)ccc4Cl)c3)s2)CC1.CN1CCC(n2cc(-c3cnc(N)c(OCc4cc(C#CC(C)(C)C)ccc4F)c3)cn2)CC1.Nc1ncc(-c2cnc(C3CCNCC3)s2)cc1OCc1cccc(C#CC2(O)CC2)c1.Nc1ncc(-c2cnc(C3CCOCC3)s2)cc1OCc1cccc(C#CC2(O)CC2)c1
InChIInChI=1S/C27H31ClN4OS.C27H32FN5O.C26H29FN4OS.2C26H30N4OS.C25H26N4O2S.C25H25N3O3S/c1-27(2,3)10-7-18-5-6-22(28)21(13-18)17-33-23-14-20(15-30-25(23)29)24-16-31-26(34-24)19-8-11-32(4)12-9-19;1-27(2,3)10-7-19-5-6-24(28)21(13-19)18-34-25-14-20(15-30-26(25)29)22-16-31-33(17-22)23-8-11-32(4)12-9-23;1-26(2,3)9-6-17-4-5-21(27)20(12-17)16-32-22-13-19(14-30-24(22)28)23-15-31-25(33-23)18-7-10-29-11-8-18;1-26(2,3)10-9-18-6-4-7-19(12-18)17-31-22-13-21(15-29-24(22)27)23-16-30-25(32-23)20-8-5-11-28-14-20;1-26(2,3)11-10-18-7-6-8-19(13-18)17-31-22-14-20(15-29-24(22)27)23-16-30-25(32-23)21-9-4-5-12-28-21;26-23-21(31-16-18-3-1-2-17(12-18)4-7-25(30)8-9-25)13-20(14-28-23)22-15-29-24(32-22)19-5-10-27-11-6-19;26-23-21(31-16-18-3-1-2-17(12-18)4-7-25(29)8-9-25)13-20(14-27-23)22-15-28-24(32-22)19-5-10-30-11-6-19/h5-6,13-16,19H,8-9,11-12,17H2,1-4H3,(H2,29,30);5-6,13-17,23H,8-9,11-12,18H2,1-4H3,(H2,29,30);4-5,12-15,18,29H,7-8,10-11,16H2,1-3H3,(H2,28,30);4,6-7,12-13,15-16,20,28H,5,8,11,14,17H2,1-3H3,(H2,27,29);6-8,13-16,21,28H,4-5,9,12,17H2,1-3H3,(H2,27,29);1-3,12-15,19,27,30H,5-6,8-11,16H2,(H2,26,28);1-3,12-15,19,29H,5-6,8-11,16H2,(H2,26,27)
InChIKeySDBXSPGXQDSJIO-UHFFFAOYSA-N
XLogP35.16
TPSA536.43 Ų
H-Bond Donors13
H-Bond Acceptors44
Rotatable Bonds35
Heavy Atoms229
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003208.66
LogP ≤ 535.16
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze 1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[2-chloro-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[2-chloro-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine?
The IUPAC name of 1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[2-chloro-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine (CID 160801156) is 1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[2-chloro-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for 1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[2-chloro-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine?
The canonical SMILES for 1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[2-chloro-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine is CC(C)(C)C#Cc1ccc(F)c(COc2cc(-c3cnc(C4CCNCC4)s3)cnc2N)c1.CC(C)(C)C#Cc1cccc(COc2cc(-c3cnc(C4CCCCN4)s3)cnc2N)c1.CC(C)(C)C#Cc1cccc(COc2cc(-c3cnc(C4CCCNC4)s3)cnc2N)c1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cc(C#CC(C)(C)C)ccc4Cl)c3)s2)CC1.CN1CCC(n2cc(-c3cnc(N)c(OCc4cc(C#CC(C)(C)C)ccc4F)c3)cn2)CC1.Nc1ncc(-c2cnc(C3CCNCC3)s2)cc1OCc1cccc(C#CC2(O)CC2)c1.Nc1ncc(-c2cnc(C3CCOCC3)s2)cc1OCc1cccc(C#CC2(O)CC2)c1.
What is the InChIKey of 1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[2-chloro-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine?
The InChIKey is SDBXSPGXQDSJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN4OS.C27H32FN5O.C26H29FN4OS.2C26H30N4OS.C25H26N4O2S.C25H25N3O3S/c1-27(2,3)10-7-18-5-6-22(28)21(13-18)17-33-23-14-20(15-30-25(23)29)24-16-31-26(34-24)19-8-11-32(4)12-9-19;1-27(2,3)10-7-19-5-6-24(28)21(13-19)18-34-25-14-20(15-30-26(25)29)22-16-31-33(17-22)23-8-11-32(4)12-9-23;1-26(2,3)9-6-17-4-5-21(27)20(12-17)16-32-22-13-19(14-30-24(22)28)23-15-31-25(33-23)18-7-10-29-11-8-18;1-26(2,3)10-9-18-6-4-7-19(12-18)17-31-22-13-21(15-29-24(22)27)23-16-30-25(32-23)20-8-5-11-28-14-20;1-26(2,3)11-10-18-7-6-8-19(13-18)17-31-22-14-20(15-29-24(22)27)23-16-30-25(32-23)21-9-4-5-12-28-21;26-23-21(31-16-18-3-1-2-17(12-18)4-7-25(30)8-9-25)13-20(14-28-23)22-15-29-24(32-22)19-5-10-27-11-6-19;26-23-21(31-16-18-3-1-2-17(12-18)4-7-25(29)8-9-25)13-20(14-27-23)22-15-28-24(32-22)19-5-10-30-11-6-19/h5-6,13-16,19H,8-9,11-12,17H2,1-4H3,(H2,29,30);5-6,13-17,23H,8-9,11-12,18H2,1-4H3,(H2,29,30);4-5,12-15,18,29H,7-8,10-11,16H2,1-3H3,(H2,28,30);4,6-7,12-13,15-16,20,28H,5,8,11,14,17H2,1-3H3,(H2,27,29);6-8,13-16,21,28H,4-5,9,12,17H2,1-3H3,(H2,27,29);1-3,12-15,19,27,30H,5-6,8-11,16H2,(H2,26,28);1-3,12-15,19,29H,5-6,8-11,16H2,(H2,26,27).
What are the key properties of 1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[2-chloro-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine?
1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[2-chloro-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine has a molecular weight of 3208.66 g/mol, XLogP of 35.16, 35 rotatable bonds, 13 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[2-chloro-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methoxy]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 160801156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).