1-[2-[3-[[2-amino-5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-2-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine;propane

C225H318N26O8S4 — CID 167599435

IUPAC1-[2-[3-[[2-amino-5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-2-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine;propane
SMILESCC(C)(C)C#Cc1cc(COc2cc(-c3cnc(C4CCCCN4C(C)(C)C)s3)cnc2N)c(C(C)(C)C)c(C(C)(C)C)c1.CC(C)(C)C#Cc1cc(COc2cc(-c3cnc(C4CCCNC4)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)c1.CC(C)(C)C#Cc1cc(COc2cc(-c3cnn(C4CCN(C(C)(C)C)CC4)c3)cnc2N)c(C(C)(C)C)c(C(C)(C)C)c1.CC(C)(C)c1cc(C#CC2(O)CC2)cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c1C(C)(C)C.CC(C)(C)c1cc(C#CC2(O)CC2)cc(COc2cc(-c3cnn(C4CCN(C(C)(C)C)CC4)c3)cnc2N)c1C(C)(C)C.CCC
InChIInChI=1S/C38H55N5O.2C38H54N4OS.C37H51N5O2.C37H50N4O2S.C34H46N4OS.C3H8/c1-35(2,3)16-13-26-19-28(33(37(7,8)9)31(20-26)36(4,5)6)25-44-32-21-27(22-40-34(32)39)29-23-41-43(24-29)30-14-17-42(18-15-30)38(10,11)12;1-35(2,3)16-13-25-19-28(32(37(7,8)9)29(20-25)36(4,5)6)24-43-30-21-27(22-40-33(30)39)31-23-41-34(44-31)26-14-17-42(18-15-26)38(10,11)12;1-35(2,3)17-16-25-19-27(32(37(7,8)9)28(20-25)36(4,5)6)24-43-30-21-26(22-40-33(30)39)31-23-41-34(44-31)29-15-13-14-18-42(29)38(10,11)12;1-34(2,3)30-19-25(10-13-37(43)14-15-37)18-27(32(30)35(4,5)6)24-44-31-20-26(21-39-33(31)38)28-22-40-42(23-28)29-11-16-41(17-12-29)36(7,8)9;1-34(2,3)28-19-24(10-13-37(42)14-15-37)18-27(31(28)35(4,5)6)23-43-29-20-26(21-39-32(29)38)30-22-40-33(44-30)25-11-16-41(17-12-25)36(7,8)9;1-32(2,3)13-12-22-15-25(29(34(7,8)9)26(16-22)33(4,5)6)21-39-27-17-24(19-37-30(27)35)28-20-38-31(40-28)23-11-10-14-36-18-23;1-3-2/h19-24,30H,14-15,17-18,25H2,1-12H3,(H2,39,40);19-23,26H,14-15,17-18,24H2,1-12H3,(H2,39,40);19-23,29H,13-15,18,24H2,1-12H3,(H2,39,40);18-23,29,43H,11-12,14-17,24H2,1-9H3,(H2,38,39);18-22,25,42H,11-12,14-17,23H2,1-9H3,(H2,38,39);15-17,19-20,23,36H,10-11,14,18,21H2,1-9H3,(H2,35,37);3H2,1-2H3
InChIKeyJNHBWPCFUVWKFB-UHFFFAOYSA-N
MW3643.46 g/mol
LogP51.63
Rot. Bonds30

About 1-[2-[3-[[2-amino-5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-2-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine;propane

1-[2-[3-[[2-amino-5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-2-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine;propane (PubChem CID 167599435) has the molecular formula C225H318N26O8S4 and a molecular weight of 3643.46 g/mol. Its IUPAC name is 1-[2-[3-[[2-amino-5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-2-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine;propane.

Molecular Properties

Compound Name1-[2-[3-[[2-amino-5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-2-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine;propane
PubChem CID167599435
Molecular FormulaC225H318N26O8S4
Molecular Weight3643.46 g/mol
Exact Mass3640.42
IUPAC Name1-[2-[3-[[2-amino-5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-2-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine;propane
SMILESCC(C)(C)C#Cc1cc(COc2cc(-c3cnc(C4CCCCN4C(C)(C)C)s3)cnc2N)c(C(C)(C)C)c(C(C)(C)C)c1.CC(C)(C)C#Cc1cc(COc2cc(-c3cnc(C4CCCNC4)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)c1.CC(C)(C)C#Cc1cc(COc2cc(-c3cnn(C4CCN(C(C)(C)C)CC4)c3)cnc2N)c(C(C)(C)C)c(C(C)(C)C)c1.CC(C)(C)c1cc(C#CC2(O)CC2)cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c1C(C)(C)C.CC(C)(C)c1cc(C#CC2(O)CC2)cc(COc2cc(-c3cnn(C4CCN(C(C)(C)C)CC4)c3)cnc2N)c1C(C)(C)C.CCC
InChIInChI=1S/C38H55N5O.2C38H54N4OS.C37H51N5O2.C37H50N4O2S.C34H46N4OS.C3H8/c1-35(2,3)16-13-26-19-28(33(37(7,8)9)31(20-26)36(4,5)6)25-44-32-21-27(22-40-34(32)39)29-23-41-43(24-29)30-14-17-42(18-15-30)38(10,11)12;1-35(2,3)16-13-25-19-28(32(37(7,8)9)29(20-25)36(4,5)6)24-43-30-21-27(22-40-33(30)39)31-23-41-34(44-31)26-14-17-42(18-15-26)38(10,11)12;1-35(2,3)17-16-25-19-27(32(37(7,8)9)28(20-25)36(4,5)6)24-43-30-21-26(22-40-33(30)39)31-23-41-34(44-31)29-15-13-14-18-42(29)38(10,11)12;1-34(2,3)30-19-25(10-13-37(43)14-15-37)18-27(32(30)35(4,5)6)24-44-31-20-26(21-39-33(31)38)28-22-40-42(23-28)29-11-16-41(17-12-29)36(7,8)9;1-34(2,3)28-19-24(10-13-37(42)14-15-37)18-27(31(28)35(4,5)6)23-43-29-20-26(21-39-32(29)38)30-22-40-33(44-30)25-11-16-41(17-12-25)36(7,8)9;1-32(2,3)13-12-22-15-25(29(34(7,8)9)26(16-22)33(4,5)6)21-39-27-17-24(19-37-30(27)35)28-20-38-31(40-28)23-11-10-14-36-18-23;1-3-2/h19-24,30H,14-15,17-18,25H2,1-12H3,(H2,39,40);19-23,26H,14-15,17-18,24H2,1-12H3,(H2,39,40);19-23,29H,13-15,18,24H2,1-12H3,(H2,39,40);18-23,29,43H,11-12,14-17,24H2,1-9H3,(H2,38,39);18-22,25,42H,11-12,14-17,23H2,1-9H3,(H2,38,39);15-17,19-20,23,36H,10-11,14,18,21H2,1-9H3,(H2,35,37);3H2,1-2H3
InChIKeyJNHBWPCFUVWKFB-UHFFFAOYSA-N
XLogP51.63
TPSA444.73 Ų
H-Bond Donors9
H-Bond Acceptors38
Rotatable Bonds30
Heavy Atoms263
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003643.46
LogP ≤ 551.63
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1038

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-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-2-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine;propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[[2-amino-5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-2-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine;propane?
The IUPAC name of 1-[2-[3-[[2-amino-5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-2-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine;propane (CID 167599435) is 1-[2-[3-[[2-amino-5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-2-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine;propane.
What is the SMILES notation for 1-[2-[3-[[2-amino-5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-2-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine;propane?
The canonical SMILES for 1-[2-[3-[[2-amino-5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-2-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine;propane is CC(C)(C)C#Cc1cc(COc2cc(-c3cnc(C4CCCCN4C(C)(C)C)s3)cnc2N)c(C(C)(C)C)c(C(C)(C)C)c1.CC(C)(C)C#Cc1cc(COc2cc(-c3cnc(C4CCCNC4)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)c1.CC(C)(C)C#Cc1cc(COc2cc(-c3cnn(C4CCN(C(C)(C)C)CC4)c3)cnc2N)c(C(C)(C)C)c(C(C)(C)C)c1.CC(C)(C)c1cc(C#CC2(O)CC2)cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c1C(C)(C)C.CC(C)(C)c1cc(C#CC2(O)CC2)cc(COc2cc(-c3cnn(C4CCN(C(C)(C)C)CC4)c3)cnc2N)c1C(C)(C)C.CCC.
What is the InChIKey of 1-[2-[3-[[2-amino-5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-2-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine;propane?
The InChIKey is JNHBWPCFUVWKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H55N5O.2C38H54N4OS.C37H51N5O2.C37H50N4O2S.C34H46N4OS.C3H8/c1-35(2,3)16-13-26-19-28(33(37(7,8)9)31(20-26)36(4,5)6)25-44-32-21-27(22-40-34(32)39)29-23-41-43(24-29)30-14-17-42(18-15-30)38(10,11)12;1-35(2,3)16-13-25-19-28(32(37(7,8)9)29(20-25)36(4,5)6)24-43-30-21-27(22-40-33(30)39)31-23-41-34(44-31)26-14-17-42(18-15-26)38(10,11)12;1-35(2,3)17-16-25-19-27(32(37(7,8)9)28(20-25)36(4,5)6)24-43-30-21-26(22-40-33(30)39)31-23-41-34(44-31)29-15-13-14-18-42(29)38(10,11)12;1-34(2,3)30-19-25(10-13-37(43)14-15-37)18-27(32(30)35(4,5)6)24-44-31-20-26(21-39-33(31)38)28-22-40-42(23-28)29-11-16-41(17-12-29)36(7,8)9;1-34(2,3)28-19-24(10-13-37(42)14-15-37)18-27(31(28)35(4,5)6)23-43-29-20-26(21-39-32(29)38)30-22-40-33(44-30)25-11-16-41(17-12-25)36(7,8)9;1-32(2,3)13-12-22-15-25(29(34(7,8)9)26(16-22)33(4,5)6)21-39-27-17-24(19-37-30(27)35)28-20-38-31(40-28)23-11-10-14-36-18-23;1-3-2/h19-24,30H,14-15,17-18,25H2,1-12H3,(H2,39,40);19-23,26H,14-15,17-18,24H2,1-12H3,(H2,39,40);19-23,29H,13-15,18,24H2,1-12H3,(H2,39,40);18-23,29,43H,11-12,14-17,24H2,1-9H3,(H2,38,39);18-22,25,42H,11-12,14-17,23H2,1-9H3,(H2,38,39);15-17,19-20,23,36H,10-11,14,18,21H2,1-9H3,(H2,35,37);3H2,1-2H3.
What are the key properties of 1-[2-[3-[[2-amino-5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-2-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine;propane?
1-[2-[3-[[2-amino-5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-2-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine;propane has a molecular weight of 3643.46 g/mol, XLogP of 51.63, 30 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[[2-amino-5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;5-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-2-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-3-yl-1,3-thiazol-5-yl)pyridin-2-amine;propane is sourced from PubChem (CID 167599435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).