3-amino-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-fluorophenyl]-5-fluoropyridine-2-carboxamide;4-(difluoromethoxy)-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyrazine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-(3-methylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(oxetan-3-ylamino)pyridine-2-carboxamide

C128H123F5N24O14 — CID 157116409

IUPAC3-amino-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-fluorophenyl]-5-fluoropyridine-2-carboxamide;4-(difluoromethoxy)-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyrazine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-(3-methylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(oxetan-3-ylamino)pyridine-2-carboxamide
SMILESC=C1N(C)CC[C@@]1(O)C#Cc1cc(-c2cc(C)cc(C(N)=O)n2)ccc1F.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(NC3COC3)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cnc(C)c(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2nc(C(N)=O)cc(-n3ccc(C)n3)n2)c1.CN1CC[C@@](C)(C#Cc2cc(F)cc(-c3nc(C(N)=O)c(N)cc3F)c2)C1=O.CN1CC[C@@](C)(C#Cc2cccc(-c3cc(OC(F)F)cc(C(N)=O)n3)c2)C1=O
InChIInChI=1S/C23H22N6O2.C23H24N4O3.C21H19F2N3O3.C21H20FN3O2.C20H18F2N4O2.C20H20N4O2/c1-15-8-11-29(27-15)20-14-19(21(24)30)25-22(26-20)18-6-4-5-17(13-18)7-9-23(31)10-12-28(3)16(23)2;1-15-23(29,8-9-27(15)2)7-6-16-4-3-5-17(10-16)20-11-18(25-19-13-30-14-19)12-21(26-20)22(24)28;1-21(8-9-26(2)19(21)28)7-6-13-4-3-5-14(10-13)16-11-15(29-20(22)23)12-17(25-16)18(24)27;1-13-10-18(24-19(11-13)20(23)26)16-4-5-17(22)15(12-16)6-7-21(27)8-9-25(3)14(21)2;1-20(5-6-26(2)19(20)28)4-3-11-7-12(9-13(21)8-11)16-14(22)10-15(23)17(25-16)18(24)27;1-13-18(19(21)25)23-17(12-22-13)16-6-4-5-15(11-16)7-8-20(26)9-10-24(3)14(20)2/h4-6,8,11,13-14,31H,2,10,12H2,1,3H3,(H2,24,30);3-5,10-12,19,29H,1,8-9,13-14H2,2H3,(H2,24,28)(H,25,26);3-5,10-12,20H,8-9H2,1-2H3,(H2,24,27);4-5,10-12,27H,2,8-9H2,1,3H3,(H2,23,26);7-10H,5-6,23H2,1-2H3,(H2,24,27);4-6,11-12,26H,2,9-10H2,1,3H3,(H2,21,25)/t2*23-;2*21-;2*20-/m001010/s1
InChIKeyAHLNIIAVNQSSRZ-UYJSDYLOSA-N
MW2316.54 g/mol
LogP11.56
Rot. Bonds17

About 3-amino-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-fluorophenyl]-5-fluoropyridine-2-carboxamide;4-(difluoromethoxy)-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyrazine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-(3-methylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(oxetan-3-ylamino)pyridine-2-carboxamide

3-amino-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-fluorophenyl]-5-fluoropyridine-2-carboxamide;4-(difluoromethoxy)-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyrazine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-(3-methylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(oxetan-3-ylamino)pyridine-2-carboxamide (PubChem CID 157116409) has the molecular formula C128H123F5N24O14 and a molecular weight of 2316.54 g/mol. Its IUPAC name is 3-amino-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-fluorophenyl]-5-fluoropyridine-2-carboxamide;4-(difluoromethoxy)-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyrazine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-(3-methylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(oxetan-3-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-fluorophenyl]-5-fluoropyridine-2-carboxamide;4-(difluoromethoxy)-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyrazine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-(3-methylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(oxetan-3-ylamino)pyridine-2-carboxamide
PubChem CID157116409
Molecular FormulaC128H123F5N24O14
Molecular Weight2316.54 g/mol
Exact Mass2314.96
IUPAC Name3-amino-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-fluorophenyl]-5-fluoropyridine-2-carboxamide;4-(difluoromethoxy)-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyrazine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-(3-methylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(oxetan-3-ylamino)pyridine-2-carboxamide
SMILESC=C1N(C)CC[C@@]1(O)C#Cc1cc(-c2cc(C)cc(C(N)=O)n2)ccc1F.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(NC3COC3)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cnc(C)c(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2nc(C(N)=O)cc(-n3ccc(C)n3)n2)c1.CN1CC[C@@](C)(C#Cc2cc(F)cc(-c3nc(C(N)=O)c(N)cc3F)c2)C1=O.CN1CC[C@@](C)(C#Cc2cccc(-c3cc(OC(F)F)cc(C(N)=O)n3)c2)C1=O
InChIInChI=1S/C23H22N6O2.C23H24N4O3.C21H19F2N3O3.C21H20FN3O2.C20H18F2N4O2.C20H20N4O2/c1-15-8-11-29(27-15)20-14-19(21(24)30)25-22(26-20)18-6-4-5-17(13-18)7-9-23(31)10-12-28(3)16(23)2;1-15-23(29,8-9-27(15)2)7-6-16-4-3-5-17(10-16)20-11-18(25-19-13-30-14-19)12-21(26-20)22(24)28;1-21(8-9-26(2)19(21)28)7-6-13-4-3-5-14(10-13)16-11-15(29-20(22)23)12-17(25-16)18(24)27;1-13-10-18(24-19(11-13)20(23)26)16-4-5-17(22)15(12-16)6-7-21(27)8-9-25(3)14(21)2;1-20(5-6-26(2)19(20)28)4-3-11-7-12(9-13(21)8-11)16-14(22)10-15(23)17(25-16)18(24)27;1-13-18(19(21)25)23-17(12-22-13)16-6-4-5-15(11-16)7-8-20(26)9-10-24(3)14(20)2/h4-6,8,11,13-14,31H,2,10,12H2,1,3H3,(H2,24,30);3-5,10-12,19,29H,1,8-9,13-14H2,2H3,(H2,24,28)(H,25,26);3-5,10-12,20H,8-9H2,1-2H3,(H2,24,27);4-5,10-12,27H,2,8-9H2,1,3H3,(H2,23,26);7-10H,5-6,23H2,1-2H3,(H2,24,27);4-6,11-12,26H,2,9-10H2,1,3H3,(H2,21,25)/t2*23-;2*21-;2*20-/m001010/s1
InChIKeyAHLNIIAVNQSSRZ-UYJSDYLOSA-N
XLogP11.56
TPSA570.49 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds17
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002316.54
LogP ≤ 511.56
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 3-amino-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-fluorophenyl]-5-fluoropyridine-2-carboxamide;4-(difluoromethoxy)-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyrazine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-(3-methylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(oxetan-3-ylamino)pyridine-2-carboxamide with MolForge

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Related Compounds

N-(2-amino-4,5-difluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-[4,5-difluoro-2-[hydroxy(methyl)carbamoyl]phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 3,6-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;ethyl 3,4,6-trifluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethoxy)benzoic acid;methyl 6-cyclopropyl-5-fluoro-3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylate
CID 157102397
2,2-dimethylpropyl (2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate;1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidine-2-carboxamide;3-[1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one;phenyl (2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate
CID 157288169
2-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[2-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 157572711
N-[3-(2-anilinoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;tert-butyl N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[5-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide;ethyl N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[2-fluoro-5-[2-(methoxycarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-2,5-dimethylpyrazole-3-carboxamide;methyl N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;4-methyl-N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]piperazine-1-carboxamide;N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]morpholine-4-carboxamide
CID 157667604
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
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
1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[(2R)-2-fluoro-4-[6-[[2-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[[2-hydrazinylidene-6-(hydroxymethyl)-3-oxooctylidene]amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-6-methoxy-3-oxohexylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxoheptylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[(2-hydrazinylidene-3-oxohept-6-ynylidene)amino]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
CID 158024509
CID 158102591
CID 158102591
N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[6-(1,1-difluoroethyl)-5-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2-carboxamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-methoxy-2-(triazol-2-yl)benzamide;N-ethyl-3-fluoro-N-[(2S)-4-(5-methyl-2-pyridinyl)butan-2-yl]-2-(triazol-2-yl)benzamide;methane
CID 158220183

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-fluorophenyl]-5-fluoropyridine-2-carboxamide;4-(difluoromethoxy)-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyrazine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-(3-methylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(oxetan-3-ylamino)pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-fluorophenyl]-5-fluoropyridine-2-carboxamide;4-(difluoromethoxy)-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyrazine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-(3-methylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(oxetan-3-ylamino)pyridine-2-carboxamide (CID 157116409) is 3-amino-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-fluorophenyl]-5-fluoropyridine-2-carboxamide;4-(difluoromethoxy)-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyrazine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-(3-methylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(oxetan-3-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-fluorophenyl]-5-fluoropyridine-2-carboxamide;4-(difluoromethoxy)-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyrazine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-(3-methylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(oxetan-3-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-fluorophenyl]-5-fluoropyridine-2-carboxamide;4-(difluoromethoxy)-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyrazine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-(3-methylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(oxetan-3-ylamino)pyridine-2-carboxamide is C=C1N(C)CC[C@@]1(O)C#Cc1cc(-c2cc(C)cc(C(N)=O)n2)ccc1F.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(NC3COC3)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cnc(C)c(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2nc(C(N)=O)cc(-n3ccc(C)n3)n2)c1.CN1CC[C@@](C)(C#Cc2cc(F)cc(-c3nc(C(N)=O)c(N)cc3F)c2)C1=O.CN1CC[C@@](C)(C#Cc2cccc(-c3cc(OC(F)F)cc(C(N)=O)n3)c2)C1=O.
What is the InChIKey of 3-amino-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-fluorophenyl]-5-fluoropyridine-2-carboxamide;4-(difluoromethoxy)-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyrazine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-(3-methylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(oxetan-3-ylamino)pyridine-2-carboxamide?
The InChIKey is AHLNIIAVNQSSRZ-UYJSDYLOSA-N. The full InChI is InChI=1S/C23H22N6O2.C23H24N4O3.C21H19F2N3O3.C21H20FN3O2.C20H18F2N4O2.C20H20N4O2/c1-15-8-11-29(27-15)20-14-19(21(24)30)25-22(26-20)18-6-4-5-17(13-18)7-9-23(31)10-12-28(3)16(23)2;1-15-23(29,8-9-27(15)2)7-6-16-4-3-5-17(10-16)20-11-18(25-19-13-30-14-19)12-21(26-20)22(24)28;1-21(8-9-26(2)19(21)28)7-6-13-4-3-5-14(10-13)16-11-15(29-20(22)23)12-17(25-16)18(24)27;1-13-10-18(24-19(11-13)20(23)26)16-4-5-17(22)15(12-16)6-7-21(27)8-9-25(3)14(21)2;1-20(5-6-26(2)19(20)28)4-3-11-7-12(9-13(21)8-11)16-14(22)10-15(23)17(25-16)18(24)27;1-13-18(19(21)25)23-17(12-22-13)16-6-4-5-15(11-16)7-8-20(26)9-10-24(3)14(20)2/h4-6,8,11,13-14,31H,2,10,12H2,1,3H3,(H2,24,30);3-5,10-12,19,29H,1,8-9,13-14H2,2H3,(H2,24,28)(H,25,26);3-5,10-12,20H,8-9H2,1-2H3,(H2,24,27);4-5,10-12,27H,2,8-9H2,1,3H3,(H2,23,26);7-10H,5-6,23H2,1-2H3,(H2,24,27);4-6,11-12,26H,2,9-10H2,1,3H3,(H2,21,25)/t2*23-;2*21-;2*20-/m001010/s1.
What are the key properties of 3-amino-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-fluorophenyl]-5-fluoropyridine-2-carboxamide;4-(difluoromethoxy)-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyrazine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-(3-methylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(oxetan-3-ylamino)pyridine-2-carboxamide?
3-amino-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-fluorophenyl]-5-fluoropyridine-2-carboxamide;4-(difluoromethoxy)-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyrazine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-(3-methylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(oxetan-3-ylamino)pyridine-2-carboxamide has a molecular weight of 2316.54 g/mol, XLogP of 11.56, 17 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-fluorophenyl]-5-fluoropyridine-2-carboxamide;4-(difluoromethoxy)-6-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyrazine-2-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-6-(3-methylpyrazol-1-yl)pyrimidine-4-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(oxetan-3-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 157116409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).