5-amino-2-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;1-[3-[2-(6,6-difluoro-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;4-[2-fluoro-5-[2-(4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]-1-methylimidazole-2-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide;1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide

C175H154F3N35O17S — CID 157302255

IUPAC5-amino-2-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;1-[3-[2-(6,6-difluoro-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;4-[2-fluoro-5-[2-(4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]-1-methylimidazole-2-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide;1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESC=C1N(C)C2C(C1(O)C#Cc1cccc(-n3nc(C(N)=O)c4cccnc43)c1)C2(F)F.C=C1N(C)C2CC2C1(O)C#Cc1ccc(F)c(-c2cn(C)c(C(N)=O)n2)c1.C=C1N(C)[C@@H]2C[C@@H]2[C@@]1(O)C#Cc1cccc(-c2nc(C(N)=O)c(N)s2)c1.C=C1N(C)[C@@H]2C[C@@H]2[C@@]1(O)C#Cc1cccc(-c2nc(C(N)=O)c3ccccn23)c1.C=C1N(C)[C@@H]2C[C@@H]2[C@@]1(O)C#Cc1cccc(-c2nc(C(N)=O)n3ccc(OC)cc23)c1.C=C1N(C)[C@@H]2C[C@@H]2[C@@]1(O)C#Cc1cccc(-c2nc(C(N)=O)n3ccccc23)c1.C=C1N(C)[C@@H]2C[C@@H]2[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3cccnc32)c1.C=C1N(C)[C@H]2C[C@H]2[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3cccnc32)c1
InChIInChI=1S/C24H22N4O3.2C23H20N4O2.C22H17F2N5O2.2C22H19N5O2.C20H19FN4O2.C19H18N4O2S/c1-14-24(30,18-13-19(18)27(14)2)9-7-15-5-4-6-16(11-15)21-20-12-17(31-3)8-10-28(20)23(26-21)22(25)29;1-14-23(29,17-13-19(17)26(14)2)10-9-15-6-5-7-16(12-15)22-25-20(21(24)28)18-8-3-4-11-27(18)22;1-14-23(29,17-13-19(17)26(14)2)10-9-15-6-5-7-16(12-15)20-18-8-3-4-11-27(18)22(25-20)21(24)28;1-12-21(31,17-18(28(12)2)22(17,23)24)9-8-13-5-3-6-14(11-13)29-20-15(7-4-10-26-20)16(27-29)19(25)30;2*1-13-22(29,17-12-18(17)26(13)2)9-8-14-5-3-6-15(11-14)27-21-16(7-4-10-24-21)19(25-27)20(23)28;1-11-20(27,14-9-17(14)25(11)3)7-6-12-4-5-15(21)13(8-12)16-10-24(2)19(23-16)18(22)26;1-10-19(25,13-9-14(13)23(10)2)7-6-11-4-3-5-12(8-11)18-22-15(16(20)24)17(21)26-18/h4-6,8,10-12,18-19,30H,1,13H2,2-3H3,(H2,25,29);2*3-8,11-12,17,19,29H,1,13H2,2H3,(H2,24,28);3-7,10-11,17-18,31H,1H2,2H3,(H2,25,30);2*3-7,10-11,17-18,29H,1,12H2,2H3,(H2,23,28);4-5,8,10,14,17,27H,1,9H2,2-3H3,(H2,22,26);3-5,8,13-14,25H,1,9,21H2,2H3,(H2,20,24)/t18-,19+,24+;2*17-,19+,23+;;17-,18+,22+;17-,18+,22-;;13-,14+,19+/m000.01.0/s1
InChIKeyBCAQWKCISUHVIM-LVFOYVTQSA-N
MW3108.45 g/mol
LogP13.37
Rot. Bonds17

About 5-amino-2-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;1-[3-[2-(6,6-difluoro-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;4-[2-fluoro-5-[2-(4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]-1-methylimidazole-2-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide;1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide

5-amino-2-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;1-[3-[2-(6,6-difluoro-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;4-[2-fluoro-5-[2-(4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]-1-methylimidazole-2-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide;1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 157302255) has the molecular formula C175H154F3N35O17S and a molecular weight of 3108.45 g/mol. Its IUPAC name is 5-amino-2-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;1-[3-[2-(6,6-difluoro-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;4-[2-fluoro-5-[2-(4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]-1-methylimidazole-2-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide;1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;1-[3-[2-(6,6-difluoro-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;4-[2-fluoro-5-[2-(4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]-1-methylimidazole-2-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide;1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID157302255
Molecular FormulaC175H154F3N35O17S
Molecular Weight3108.45 g/mol
Exact Mass3106.19
IUPAC Name5-amino-2-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;1-[3-[2-(6,6-difluoro-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;4-[2-fluoro-5-[2-(4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]-1-methylimidazole-2-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide;1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESC=C1N(C)C2C(C1(O)C#Cc1cccc(-n3nc(C(N)=O)c4cccnc43)c1)C2(F)F.C=C1N(C)C2CC2C1(O)C#Cc1ccc(F)c(-c2cn(C)c(C(N)=O)n2)c1.C=C1N(C)[C@@H]2C[C@@H]2[C@@]1(O)C#Cc1cccc(-c2nc(C(N)=O)c(N)s2)c1.C=C1N(C)[C@@H]2C[C@@H]2[C@@]1(O)C#Cc1cccc(-c2nc(C(N)=O)c3ccccn23)c1.C=C1N(C)[C@@H]2C[C@@H]2[C@@]1(O)C#Cc1cccc(-c2nc(C(N)=O)n3ccc(OC)cc23)c1.C=C1N(C)[C@@H]2C[C@@H]2[C@@]1(O)C#Cc1cccc(-c2nc(C(N)=O)n3ccccc23)c1.C=C1N(C)[C@@H]2C[C@@H]2[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3cccnc32)c1.C=C1N(C)[C@H]2C[C@H]2[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3cccnc32)c1
InChIInChI=1S/C24H22N4O3.2C23H20N4O2.C22H17F2N5O2.2C22H19N5O2.C20H19FN4O2.C19H18N4O2S/c1-14-24(30,18-13-19(18)27(14)2)9-7-15-5-4-6-16(11-15)21-20-12-17(31-3)8-10-28(20)23(26-21)22(25)29;1-14-23(29,17-13-19(17)26(14)2)10-9-15-6-5-7-16(12-15)22-25-20(21(24)28)18-8-3-4-11-27(18)22;1-14-23(29,17-13-19(17)26(14)2)10-9-15-6-5-7-16(12-15)20-18-8-3-4-11-27(18)22(25-20)21(24)28;1-12-21(31,17-18(28(12)2)22(17,23)24)9-8-13-5-3-6-14(11-13)29-20-15(7-4-10-26-20)16(27-29)19(25)30;2*1-13-22(29,17-12-18(17)26(13)2)9-8-14-5-3-6-15(11-14)27-21-16(7-4-10-24-21)19(25-27)20(23)28;1-11-20(27,14-9-17(14)25(11)3)7-6-12-4-5-15(21)13(8-12)16-10-24(2)19(23-16)18(22)26;1-10-19(25,13-9-14(13)23(10)2)7-6-11-4-3-5-12(8-11)18-22-15(16(20)24)17(21)26-18/h4-6,8,10-12,18-19,30H,1,13H2,2-3H3,(H2,25,29);2*3-8,11-12,17,19,29H,1,13H2,2H3,(H2,24,28);3-7,10-11,17-18,31H,1H2,2H3,(H2,25,30);2*3-7,10-11,17-18,29H,1,12H2,2H3,(H2,23,28);4-5,8,10,14,17,27H,1,9H2,2-3H3,(H2,22,26);3-5,8,13-14,25H,1,9,21H2,2H3,(H2,20,24)/t18-,19+,24+;2*17-,19+,23+;;17-,18+,22+;17-,18+,22-;;13-,14+,19+/m000.01.0/s1
InChIKeyBCAQWKCISUHVIM-LVFOYVTQSA-N
XLogP13.37
TPSA742.47 Ų
H-Bond Donors17
H-Bond Acceptors45
Rotatable Bonds17
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003108.45
LogP ≤ 513.37
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1045

Analyze 5-amino-2-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;1-[3-[2-(6,6-difluoro-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;4-[2-fluoro-5-[2-(4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]-1-methylimidazole-2-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide;1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;1-[3-[2-(6,6-difluoro-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;4-[2-fluoro-5-[2-(4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]-1-methylimidazole-2-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide;1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;1-[3-[2-(6,6-difluoro-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;4-[2-fluoro-5-[2-(4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]-1-methylimidazole-2-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide;1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide (CID 157302255) is 5-amino-2-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;1-[3-[2-(6,6-difluoro-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;4-[2-fluoro-5-[2-(4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]-1-methylimidazole-2-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide;1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;1-[3-[2-(6,6-difluoro-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;4-[2-fluoro-5-[2-(4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]-1-methylimidazole-2-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide;1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;1-[3-[2-(6,6-difluoro-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;4-[2-fluoro-5-[2-(4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]-1-methylimidazole-2-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide;1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide is C=C1N(C)C2C(C1(O)C#Cc1cccc(-n3nc(C(N)=O)c4cccnc43)c1)C2(F)F.C=C1N(C)C2CC2C1(O)C#Cc1ccc(F)c(-c2cn(C)c(C(N)=O)n2)c1.C=C1N(C)[C@@H]2C[C@@H]2[C@@]1(O)C#Cc1cccc(-c2nc(C(N)=O)c(N)s2)c1.C=C1N(C)[C@@H]2C[C@@H]2[C@@]1(O)C#Cc1cccc(-c2nc(C(N)=O)c3ccccn23)c1.C=C1N(C)[C@@H]2C[C@@H]2[C@@]1(O)C#Cc1cccc(-c2nc(C(N)=O)n3ccc(OC)cc23)c1.C=C1N(C)[C@@H]2C[C@@H]2[C@@]1(O)C#Cc1cccc(-c2nc(C(N)=O)n3ccccc23)c1.C=C1N(C)[C@@H]2C[C@@H]2[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3cccnc32)c1.C=C1N(C)[C@H]2C[C@H]2[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3cccnc32)c1.
What is the InChIKey of 5-amino-2-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;1-[3-[2-(6,6-difluoro-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;4-[2-fluoro-5-[2-(4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]-1-methylimidazole-2-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide;1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is BCAQWKCISUHVIM-LVFOYVTQSA-N. The full InChI is InChI=1S/C24H22N4O3.2C23H20N4O2.C22H17F2N5O2.2C22H19N5O2.C20H19FN4O2.C19H18N4O2S/c1-14-24(30,18-13-19(18)27(14)2)9-7-15-5-4-6-16(11-15)21-20-12-17(31-3)8-10-28(20)23(26-21)22(25)29;1-14-23(29,17-13-19(17)26(14)2)10-9-15-6-5-7-16(12-15)22-25-20(21(24)28)18-8-3-4-11-27(18)22;1-14-23(29,17-13-19(17)26(14)2)10-9-15-6-5-7-16(12-15)20-18-8-3-4-11-27(18)22(25-20)21(24)28;1-12-21(31,17-18(28(12)2)22(17,23)24)9-8-13-5-3-6-14(11-13)29-20-15(7-4-10-26-20)16(27-29)19(25)30;2*1-13-22(29,17-12-18(17)26(13)2)9-8-14-5-3-6-15(11-14)27-21-16(7-4-10-24-21)19(25-27)20(23)28;1-11-20(27,14-9-17(14)25(11)3)7-6-12-4-5-15(21)13(8-12)16-10-24(2)19(23-16)18(22)26;1-10-19(25,13-9-14(13)23(10)2)7-6-11-4-3-5-12(8-11)18-22-15(16(20)24)17(21)26-18/h4-6,8,10-12,18-19,30H,1,13H2,2-3H3,(H2,25,29);2*3-8,11-12,17,19,29H,1,13H2,2H3,(H2,24,28);3-7,10-11,17-18,31H,1H2,2H3,(H2,25,30);2*3-7,10-11,17-18,29H,1,12H2,2H3,(H2,23,28);4-5,8,10,14,17,27H,1,9H2,2-3H3,(H2,22,26);3-5,8,13-14,25H,1,9,21H2,2H3,(H2,20,24)/t18-,19+,24+;2*17-,19+,23+;;17-,18+,22+;17-,18+,22-;;13-,14+,19+/m000.01.0/s1.
What are the key properties of 5-amino-2-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;1-[3-[2-(6,6-difluoro-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;4-[2-fluoro-5-[2-(4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]-1-methylimidazole-2-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide;1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
5-amino-2-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;1-[3-[2-(6,6-difluoro-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;4-[2-fluoro-5-[2-(4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]-1-methylimidazole-2-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide;1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 3108.45 g/mol, XLogP of 13.37, 17 rotatable bonds, 17 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;1-[3-[2-(6,6-difluoro-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;4-[2-fluoro-5-[2-(4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]-1-methylimidazole-2-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide;1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 157302255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).