3-amino-6-[2,3-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-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;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-(hydroxymethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]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

C123H115F2N27O18S — CID 159935305

IUPAC3-amino-6-[2,3-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-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;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-(hydroxymethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]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
SMILESC=C1N(C)CC[C@@]1(O)C#Cc1cc(-c2cnc(N)c(C(N)=O)n2)c2ncsc2c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(CO)cc(C(N)=O)n2)c1.CN1CC[C@@](O)(C#Cc2cc(F)c(F)c(-c3ccc(N)c(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4c(n3)N(C)CC4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4cnn(C5CC5)c4n3)c2)C1=O.Cc1cc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)nc(C(N)=O)c1O
InChIInChI=1S/C22H20N6O3.C21H21N5O3.C21H21N3O3.C20H18N6O2S.C20H19N3O4.C19H16F2N4O3/c1-27-10-9-22(31,21(27)30)8-7-13-3-2-4-14(11-13)19-25-17(18(23)29)16-12-24-28(15-5-6-15)20(16)26-19;1-25-10-7-15-16(17(22)27)23-18(24-19(15)25)14-5-3-4-13(12-14)6-8-21(29)9-11-26(2)20(21)28;1-14-21(27,8-9-24(14)2)7-6-15-4-3-5-17(10-15)18-11-16(13-25)12-19(23-18)20(22)26;1-11-20(28,5-6-26(11)2)4-3-12-7-13(16-15(8-12)29-10-24-16)14-9-23-18(21)17(25-14)19(22)27;1-12-10-15(22-16(17(12)24)18(21)25)14-5-3-4-13(11-14)6-7-20(27)8-9-23(2)19(20)26;1-25-7-6-19(28,18(25)27)5-4-10-8-11(15(21)12(20)9-10)14-3-2-13(22)16(24-14)17(23)26/h2-4,11-12,15,31H,5-6,9-10H2,1H3,(H2,23,29);3-5,12,29H,7,9-11H2,1-2H3,(H2,22,27);3-5,10-12,25,27H,1,8-9,13H2,2H3,(H2,22,26);7-10,28H,1,5-6H2,2H3,(H2,21,23)(H2,22,27);3-5,10-11,24,27H,8-9H2,1-2H3,(H2,21,25);2-3,8-9,28H,6-7,22H2,1H3,(H2,23,26)/t22-;2*21-;2*20-;19-/m000000/s1
InChIKeyOAECILAIBKQUSA-DUPNNJLOSA-N
MW2329.51 g/mol
LogP5.15
Rot. Bonds14

About 3-amino-6-[2,3-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-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;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-(hydroxymethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]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

3-amino-6-[2,3-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-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;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-(hydroxymethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]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 (PubChem CID 159935305) has the molecular formula C123H115F2N27O18S and a molecular weight of 2329.51 g/mol. Its IUPAC name is 3-amino-6-[2,3-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-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;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-(hydroxymethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]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.

Molecular Properties

Compound Name3-amino-6-[2,3-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-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;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-(hydroxymethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]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
PubChem CID159935305
Molecular FormulaC123H115F2N27O18S
Molecular Weight2329.51 g/mol
Exact Mass2327.86
IUPAC Name3-amino-6-[2,3-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-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;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-(hydroxymethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]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
SMILESC=C1N(C)CC[C@@]1(O)C#Cc1cc(-c2cnc(N)c(C(N)=O)n2)c2ncsc2c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(CO)cc(C(N)=O)n2)c1.CN1CC[C@@](O)(C#Cc2cc(F)c(F)c(-c3ccc(N)c(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4c(n3)N(C)CC4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4cnn(C5CC5)c4n3)c2)C1=O.Cc1cc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)nc(C(N)=O)c1O
InChIInChI=1S/C22H20N6O3.C21H21N5O3.C21H21N3O3.C20H18N6O2S.C20H19N3O4.C19H16F2N4O3/c1-27-10-9-22(31,21(27)30)8-7-13-3-2-4-14(11-13)19-25-17(18(23)29)16-12-24-28(15-5-6-15)20(16)26-19;1-25-10-7-15-16(17(22)27)23-18(24-19(15)25)14-5-3-4-13(12-14)6-8-21(29)9-11-26(2)20(21)28;1-14-21(27,8-9-24(14)2)7-6-15-4-3-5-17(10-15)18-11-16(13-25)12-19(23-18)20(22)26;1-11-20(28,5-6-26(11)2)4-3-12-7-13(16-15(8-12)29-10-24-16)14-9-23-18(21)17(25-14)19(22)27;1-12-10-15(22-16(17(12)24)18(21)25)14-5-3-4-13(11-14)6-7-20(27)8-9-23(2)19(20)26;1-25-7-6-19(28,18(25)27)5-4-10-8-11(15(21)12(20)9-10)14-3-2-13(22)16(24-14)17(23)26/h2-4,11-12,15,31H,5-6,9-10H2,1H3,(H2,23,29);3-5,12,29H,7,9-11H2,1-2H3,(H2,22,27);3-5,10-12,25,27H,1,8-9,13H2,2H3,(H2,22,26);7-10,28H,1,5-6H2,2H3,(H2,21,23)(H2,22,27);3-5,10-11,24,27H,8-9H2,1-2H3,(H2,21,25);2-3,8-9,28H,6-7,22H2,1H3,(H2,23,26)/t22-;2*21-;2*20-;19-/m000000/s1
InChIKeyOAECILAIBKQUSA-DUPNNJLOSA-N
XLogP5.15
TPSA710.10 Ų
H-Bond Donors16
H-Bond Acceptors36
Rotatable Bonds14
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002329.51
LogP ≤ 55.15
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 3-amino-6-[2,3-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-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;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-(hydroxymethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]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 with MolForge

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Related Compounds

6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;6-[2-(3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-indazole
CID 157123349
3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;4-(3,3-difluoroazetidin-1-yl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;4-ethoxy-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;4-(hydroxymethyl)-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-(methoxymethyl)pyridine-2-carboxamide
CID 161166096
4-(difluoromethoxy)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;8-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-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;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(oxetan-3-ylamino)pyridine-2-carboxamide;6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyridine-2-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(trifluoromethyl)-7H-cyclopenta[c]pyridine-1-carboxamide
CID 161944474
N-[6-[4-amino-1-[(2-ethyl-8-methyl-1-oxoisoquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[4,5-c]pyridin-4-one;2-[[4-amino-3-[(3S)-3-hydroxybut-1-ynyl]pyrazolo[3,4-b]pyridin-1-yl]methyl]-6-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;N-[6-[4-amino-1-[(8-methyl-1-oxo-2-phenylisoquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide
CID 159837022
3-amino-6-[6-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-2-carboxamide;3-amino-6-[5-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2,3-difluorophenyl]pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-ethoxypyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(hydroxymethyl)pyridine-2-carboxamide;6-[3-[2-[(3S)-1,3-dimethyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(methoxymethyl)pyridine-2-carboxamide;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;methane
CID 162015255

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[2,3-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-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;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-(hydroxymethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]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?
The IUPAC name of 3-amino-6-[2,3-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-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;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-(hydroxymethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]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 159935305) is 3-amino-6-[2,3-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-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;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-(hydroxymethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]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.
What is the SMILES notation for 3-amino-6-[2,3-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-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;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-(hydroxymethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]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?
The canonical SMILES for 3-amino-6-[2,3-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-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;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-(hydroxymethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]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 is C=C1N(C)CC[C@@]1(O)C#Cc1cc(-c2cnc(N)c(C(N)=O)n2)c2ncsc2c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(CO)cc(C(N)=O)n2)c1.CN1CC[C@@](O)(C#Cc2cc(F)c(F)c(-c3ccc(N)c(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4c(n3)N(C)CC4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4cnn(C5CC5)c4n3)c2)C1=O.Cc1cc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)nc(C(N)=O)c1O.
What is the InChIKey of 3-amino-6-[2,3-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-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;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-(hydroxymethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]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?
The InChIKey is OAECILAIBKQUSA-DUPNNJLOSA-N. The full InChI is InChI=1S/C22H20N6O3.C21H21N5O3.C21H21N3O3.C20H18N6O2S.C20H19N3O4.C19H16F2N4O3/c1-27-10-9-22(31,21(27)30)8-7-13-3-2-4-14(11-13)19-25-17(18(23)29)16-12-24-28(15-5-6-15)20(16)26-19;1-25-10-7-15-16(17(22)27)23-18(24-19(15)25)14-5-3-4-13(12-14)6-8-21(29)9-11-26(2)20(21)28;1-14-21(27,8-9-24(14)2)7-6-15-4-3-5-17(10-15)18-11-16(13-25)12-19(23-18)20(22)26;1-11-20(28,5-6-26(11)2)4-3-12-7-13(16-15(8-12)29-10-24-16)14-9-23-18(21)17(25-14)19(22)27;1-12-10-15(22-16(17(12)24)18(21)25)14-5-3-4-13(11-14)6-7-20(27)8-9-23(2)19(20)26;1-25-7-6-19(28,18(25)27)5-4-10-8-11(15(21)12(20)9-10)14-3-2-13(22)16(24-14)17(23)26/h2-4,11-12,15,31H,5-6,9-10H2,1H3,(H2,23,29);3-5,12,29H,7,9-11H2,1-2H3,(H2,22,27);3-5,10-12,25,27H,1,8-9,13H2,2H3,(H2,22,26);7-10,28H,1,5-6H2,2H3,(H2,21,23)(H2,22,27);3-5,10-11,24,27H,8-9H2,1-2H3,(H2,21,25);2-3,8-9,28H,6-7,22H2,1H3,(H2,23,26)/t22-;2*21-;2*20-;19-/m000000/s1.
What are the key properties of 3-amino-6-[2,3-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-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;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-(hydroxymethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]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?
3-amino-6-[2,3-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-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;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-(hydroxymethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]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 has a molecular weight of 2329.51 g/mol, XLogP of 5.15, 14 rotatable bonds, 16 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[2,3-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyrazine-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;3-hydroxy-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-(hydroxymethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]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 is sourced from PubChem (CID 159935305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).