6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(2-methoxyethylamino)pyrazine-2-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrimidine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide

C144H131F4N31O22 — CID 159181312

IUPAC6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(2-methoxyethylamino)pyrazine-2-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrimidine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESC=C1N(C)CC[C@@]1(O)C#Cc1ccc(F)c(-c2cnc(NCCOC)c(C(N)=O)n2)c1.CN1CC[C@@](O)(C#Cc2cccc(-c3cc(C(F)(F)F)cc(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(-n4cccn4)n3)c2)C1=O.COc1cc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)nc(C(N)=O)n1.Cc1ccc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)nc1C(N)=O.Cc1cnc([C@](C)(O)C#Cc2cccc(-c3nc(C(N)=O)cc(-c4ccnn4C)n3)c2)o1.Cc1cnc([C@](C)(O)C#Cc2cccc(-c3nccc(C(N)=O)n3)c2)o1
InChIInChI=1S/C23H20N6O3.C22H24FN5O3.C21H18N6O3.C20H16F3N3O3.C20H19N3O3.C19H18N4O4.C19H16N4O3/c1-14-13-25-22(32-14)23(2,31)9-7-15-5-4-6-16(11-15)21-27-17(12-18(28-21)20(24)30)19-8-10-26-29(19)3;1-14-22(30,8-10-28(14)2)7-6-15-4-5-17(23)16(12-15)18-13-26-21(25-9-11-31-3)19(27-18)20(24)29;1-26-11-8-21(30,20(26)29)7-6-14-4-2-5-15(12-14)19-24-16(18(22)28)13-17(25-19)27-10-3-9-23-27;1-26-8-7-19(29,18(26)28)6-5-12-3-2-4-13(9-12)15-10-14(20(21,22)23)11-16(25-15)17(24)27;1-13-6-7-16(22-17(13)18(21)24)15-5-3-4-14(12-15)8-9-20(26)10-11-23(2)19(20)25;1-23-9-8-19(26,18(23)25)7-6-12-4-3-5-13(10-12)14-11-15(27-2)22-17(21-14)16(20)24;1-12-11-22-18(26-12)19(2,25)8-6-13-4-3-5-14(10-13)17-21-9-7-15(23-17)16(20)24/h4-6,8,10-13,31H,1-3H3,(H2,24,30);4-5,12-13,30H,1,8-11H2,2-3H3,(H2,24,29)(H,25,26);2-5,9-10,12-13,30H,8,11H2,1H3,(H2,22,28);2-4,9-11,29H,7-8H2,1H3,(H2,24,27);3-7,12,26H,10-11H2,1-2H3,(H2,21,24);3-5,10-11,26H,8-9H2,1-2H3,(H2,20,24);3-5,7,9-11,25H,1-2H3,(H2,20,24)/t23-;22-;21-;19-;20-;2*19-/m1000001/s1
InChIKeyKMXUAIVLQUVISU-ACNWOGLUSA-N
MW2723.82 g/mol
LogP8.85
Rot. Bonds23

About 6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(2-methoxyethylamino)pyrazine-2-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrimidine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide

6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(2-methoxyethylamino)pyrazine-2-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrimidine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 159181312) has the molecular formula C144H131F4N31O22 and a molecular weight of 2723.82 g/mol. Its IUPAC name is 6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(2-methoxyethylamino)pyrazine-2-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrimidine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(2-methoxyethylamino)pyrazine-2-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrimidine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID159181312
Molecular FormulaC144H131F4N31O22
Molecular Weight2723.82 g/mol
Exact Mass2722.00
IUPAC Name6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(2-methoxyethylamino)pyrazine-2-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrimidine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESC=C1N(C)CC[C@@]1(O)C#Cc1ccc(F)c(-c2cnc(NCCOC)c(C(N)=O)n2)c1.CN1CC[C@@](O)(C#Cc2cccc(-c3cc(C(F)(F)F)cc(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(-n4cccn4)n3)c2)C1=O.COc1cc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)nc(C(N)=O)n1.Cc1ccc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)nc1C(N)=O.Cc1cnc([C@](C)(O)C#Cc2cccc(-c3nc(C(N)=O)cc(-c4ccnn4C)n3)c2)o1.Cc1cnc([C@](C)(O)C#Cc2cccc(-c3nccc(C(N)=O)n3)c2)o1
InChIInChI=1S/C23H20N6O3.C22H24FN5O3.C21H18N6O3.C20H16F3N3O3.C20H19N3O3.C19H18N4O4.C19H16N4O3/c1-14-13-25-22(32-14)23(2,31)9-7-15-5-4-6-16(11-15)21-27-17(12-18(28-21)20(24)30)19-8-10-26-29(19)3;1-14-22(30,8-10-28(14)2)7-6-15-4-5-17(23)16(12-15)18-13-26-21(25-9-11-31-3)19(27-18)20(24)29;1-26-11-8-21(30,20(26)29)7-6-14-4-2-5-15(12-14)19-24-16(18(22)28)13-17(25-19)27-10-3-9-23-27;1-26-8-7-19(29,18(26)28)6-5-12-3-2-4-13(9-12)15-10-14(20(21,22)23)11-16(25-15)17(24)27;1-13-6-7-16(22-17(13)18(21)24)15-5-3-4-14(12-15)8-9-20(26)10-11-23(2)19(20)25;1-23-9-8-19(26,18(23)25)7-6-12-4-3-5-13(10-12)14-11-15(27-2)22-17(21-14)16(20)24;1-12-11-22-18(26-12)19(2,25)8-6-13-4-3-5-14(10-13)17-21-9-7-15(23-17)16(20)24/h4-6,8,10-13,31H,1-3H3,(H2,24,30);4-5,12-13,30H,1,8-11H2,2-3H3,(H2,24,29)(H,25,26);2-5,9-10,12-13,30H,8,11H2,1H3,(H2,22,28);2-4,9-11,29H,7-8H2,1H3,(H2,24,27);3-7,12,26H,10-11H2,1-2H3,(H2,21,24);3-5,10-11,26H,8-9H2,1-2H3,(H2,20,24);3-5,7,9-11,25H,1-2H3,(H2,20,24)/t23-;22-;21-;19-;20-;2*19-/m1000001/s1
InChIKeyKMXUAIVLQUVISU-ACNWOGLUSA-N
XLogP8.85
TPSA800.59 Ų
H-Bond Donors15
H-Bond Acceptors42
Rotatable Bonds23
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002723.82
LogP ≤ 58.85
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(2-methoxyethylamino)pyrazine-2-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrimidine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-methoxypyrazin-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-methylpyrimidin-5-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 157638254
N-[(2S)-1-[5-(1,1-difluoroethyl)pyrazin-2-yl]oxypropan-2-yl]-N-ethyl-2-methyl-4-phenylpyrimidine-5-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrazin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-pyrazol-1-yl-5-(trifluoromethyl)pyridine-3-carboxamide;N-ethyl-6-methyl-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-3-(triazol-2-yl)pyridine-2-carboxamide
CID 157682785
3-amino-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;2-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(3-methoxypropyl)pyrimidine-4-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2S)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[(2R)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-[3-[2-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(3,3,3-trifluoropropyl)pyrimidine-2-carboxamide;2-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]-6-(5-methylpyrazol-1-yl)pyrimidine-4-carboxamide
CID 157689381
1-cyclopropyl-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide;6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;3-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-(4-fluoropyrazol-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 157723290
[3-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2,6-difluorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-methoxypyrazin-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(6-methoxy-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(2-methylpyrimidin-5-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-2-ylmethanone
CID 157752910
4-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)-6-[(2-methyltriazol-4-yl)methoxy]pyrimidine;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)-6-[(3-methyltriazol-4-yl)methoxy]pyrimidine;(3R)-3-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]-4-methylpentan-2-one;[6-methyl-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 157760788
3-amino-6-[2,3-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;1-cyclopropyl-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide;6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;4-(4-fluoropyrazol-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 157774780
[3-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2,6-difluorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(6-methoxy-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-methylpyrimidin-5-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-2-ylmethanone
CID 157795019
[3-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2,6-difluorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(6-methoxy-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-methylpyrimidin-5-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-2-ylmethanone
CID 158038819
[2-[(5-Fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-2-(triazol-2-yl)phenyl]-[2-[[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158051729
CID 158306781
CID 158306781
5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2S)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2R)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide;4-[3-[2-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2,2,2-trifluoroethylamino)pyrimidine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide
CID 158335830

Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(2-methoxyethylamino)pyrazine-2-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrimidine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(2-methoxyethylamino)pyrazine-2-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrimidine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide (CID 159181312) is 6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(2-methoxyethylamino)pyrazine-2-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrimidine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(2-methoxyethylamino)pyrazine-2-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrimidine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(2-methoxyethylamino)pyrazine-2-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrimidine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide is C=C1N(C)CC[C@@]1(O)C#Cc1ccc(F)c(-c2cnc(NCCOC)c(C(N)=O)n2)c1.CN1CC[C@@](O)(C#Cc2cccc(-c3cc(C(F)(F)F)cc(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(-n4cccn4)n3)c2)C1=O.COc1cc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)nc(C(N)=O)n1.Cc1ccc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)nc1C(N)=O.Cc1cnc([C@](C)(O)C#Cc2cccc(-c3nc(C(N)=O)cc(-c4ccnn4C)n3)c2)o1.Cc1cnc([C@](C)(O)C#Cc2cccc(-c3nccc(C(N)=O)n3)c2)o1.
What is the InChIKey of 6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(2-methoxyethylamino)pyrazine-2-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrimidine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is KMXUAIVLQUVISU-ACNWOGLUSA-N. The full InChI is InChI=1S/C23H20N6O3.C22H24FN5O3.C21H18N6O3.C20H16F3N3O3.C20H19N3O3.C19H18N4O4.C19H16N4O3/c1-14-13-25-22(32-14)23(2,31)9-7-15-5-4-6-16(11-15)21-27-17(12-18(28-21)20(24)30)19-8-10-26-29(19)3;1-14-22(30,8-10-28(14)2)7-6-15-4-5-17(23)16(12-15)18-13-26-21(25-9-11-31-3)19(27-18)20(24)29;1-26-11-8-21(30,20(26)29)7-6-14-4-2-5-15(12-14)19-24-16(18(22)28)13-17(25-19)27-10-3-9-23-27;1-26-8-7-19(29,18(26)28)6-5-12-3-2-4-13(9-12)15-10-14(20(21,22)23)11-16(25-15)17(24)27;1-13-6-7-16(22-17(13)18(21)24)15-5-3-4-14(12-15)8-9-20(26)10-11-23(2)19(20)25;1-23-9-8-19(26,18(23)25)7-6-12-4-3-5-13(10-12)14-11-15(27-2)22-17(21-14)16(20)24;1-12-11-22-18(26-12)19(2,25)8-6-13-4-3-5-14(10-13)17-21-9-7-15(23-17)16(20)24/h4-6,8,10-13,31H,1-3H3,(H2,24,30);4-5,12-13,30H,1,8-11H2,2-3H3,(H2,24,29)(H,25,26);2-5,9-10,12-13,30H,8,11H2,1H3,(H2,22,28);2-4,9-11,29H,7-8H2,1H3,(H2,24,27);3-7,12,26H,10-11H2,1-2H3,(H2,21,24);3-5,10-11,26H,8-9H2,1-2H3,(H2,20,24);3-5,7,9-11,25H,1-2H3,(H2,20,24)/t23-;22-;21-;19-;20-;2*19-/m1000001/s1.
What are the key properties of 6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(2-methoxyethylamino)pyrazine-2-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrimidine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(2-methoxyethylamino)pyrazine-2-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrimidine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 2723.82 g/mol, XLogP of 8.85, 23 rotatable bonds, 15 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(2-methoxyethylamino)pyrazine-2-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxamide;2-[3-[(3R)-3-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]pyrimidine-4-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrimidine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyridine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 159181312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).