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-[(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;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;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide

C132H116N26O14S — CID 161118998

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-[(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;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;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESC=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)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.CN1C(=O)[C@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4ccccn34)c2)[C@H]2C[C@H]21
InChIInChI=1S/C24H22N4O3.C23H20N4O2.2C22H19N5O2.C22H18N4O3.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)20-18-8-3-4-11-27(18)22(25-20)21(24)28;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;1-25-17-12-15(17)22(29,21(25)28)9-8-13-5-4-6-14(11-13)20-24-18(19(23)27)16-7-2-3-10-26(16)20;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);3-8,11-12,17,19,29H,1,13H2,2H3,(H2,24,28);2*3-7,10-11,17-18,29H,1,12H2,2H3,(H2,23,28);2-7,10-11,15,17,29H,12H2,1H3,(H2,23,27);3-5,8,13-14,25H,1,9,21H2,2H3,(H2,20,24)/t18-,19+,24+;17-,19+,23+;17-,18+,22+;17-,18+,22-;15-,17+,22-;13-,14+,19+/m000100/s1
InChIKeyUKRUYUJNSGCWLJ-DPIYSDCESA-N
MW2322.61 g/mol
LogP9.43
Rot. Bonds13

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-[(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;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;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-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-[(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;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;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 161118998) has the molecular formula C132H116N26O14S and a molecular weight of 2322.61 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-[(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;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;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-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-[(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;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;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID161118998
Molecular FormulaC132H116N26O14S
Molecular Weight2322.61 g/mol
Exact Mass2320.89
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-[(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;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;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESC=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)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.CN1C(=O)[C@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4ccccn34)c2)[C@H]2C[C@H]21
InChIInChI=1S/C24H22N4O3.C23H20N4O2.2C22H19N5O2.C22H18N4O3.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)20-18-8-3-4-11-27(18)22(25-20)21(24)28;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;1-25-17-12-15(17)22(29,21(25)28)9-8-13-5-4-6-14(11-13)20-24-18(19(23)27)16-7-2-3-10-26(16)20;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);3-8,11-12,17,19,29H,1,13H2,2H3,(H2,24,28);2*3-7,10-11,17-18,29H,1,12H2,2H3,(H2,23,28);2-7,10-11,15,17,29H,12H2,1H3,(H2,23,27);3-5,8,13-14,25H,1,9,21H2,2H3,(H2,20,24)/t18-,19+,24+;17-,19+,23+;17-,18+,22+;17-,18+,22-;15-,17+,22-;13-,14+,19+/m000100/s1
InChIKeyUKRUYUJNSGCWLJ-DPIYSDCESA-N
XLogP9.43
TPSA577.89 Ų
H-Bond Donors13
H-Bond Acceptors34
Rotatable Bonds13
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002322.61
LogP ≤ 59.43
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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-[(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;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;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-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-[(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;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;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-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-[(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;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;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide (CID 161118998) 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-[(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;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;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-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-[(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;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;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-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-[(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;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;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide is 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)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.CN1C(=O)[C@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4ccccn34)c2)[C@H]2C[C@H]21.
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-[(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;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;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is UKRUYUJNSGCWLJ-DPIYSDCESA-N. The full InChI is InChI=1S/C24H22N4O3.C23H20N4O2.2C22H19N5O2.C22H18N4O3.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)20-18-8-3-4-11-27(18)22(25-20)21(24)28;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;1-25-17-12-15(17)22(29,21(25)28)9-8-13-5-4-6-14(11-13)20-24-18(19(23)27)16-7-2-3-10-26(16)20;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);3-8,11-12,17,19,29H,1,13H2,2H3,(H2,24,28);2*3-7,10-11,17-18,29H,1,12H2,2H3,(H2,23,28);2-7,10-11,15,17,29H,12H2,1H3,(H2,23,27);3-5,8,13-14,25H,1,9,21H2,2H3,(H2,20,24)/t18-,19+,24+;17-,19+,23+;17-,18+,22+;17-,18+,22-;15-,17+,22-;13-,14+,19+/m000100/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-[(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;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;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-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-[(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;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;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 2322.61 g/mol, XLogP of 9.43, 13 rotatable bonds, 13 hydrogen bond donors, and 34 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-[(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;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;3-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 161118998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).