4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethylamino]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[5-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]pentoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;N-[(3R)-9-[(3-fluorophenyl)methyl]-6-[5-[2-[2-[2-[3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-5-yl]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide

C154H170F10N42O12 — CID 159281218

IUPAC4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethylamino]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[5-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]pentoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;N-[(3R)-9-[(3-fluorophenyl)methyl]-6-[5-[2-[2-[2-[3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-5-yl]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
SMILESCC[C@H]1CC(NCCOCCN2CC(=O)N(CC)c3nc(-c4ccc(-c5ncn[nH]5)nc4C)cnc32)CCN1c1ccc(C#N)c(C(F)(F)F)c1.CC[C@H]1CC(OCCCCCN2CC(=O)N(CC)c3nc(-c4ccc(-c5ncn[nH]5)nc4C)cnc32)CCN1c1ccc(C#N)c(C(F)(F)F)c1.CC[C@H]1CC(OCCOCCN2CC(=O)N(CC)c3nc(-c4ccc(-c5ncn[nH]5)nc4C)cnc32)CCN1c1ccc(C#N)c(C(F)(F)F)c1.Cc1nc(-c2ncn[nH]2)ccc1-c1cnc2c(n1)N(CCOCCOCCOc1cncc(-c3ccc4c(c3)c3c(n4Cc4cccc(F)c4)CC[C@@H](NC(=O)C(C)C)C3)c1)C(=O)CN2
InChIInChI=1S/C48H50FN11O5.C36H41F3N10O2.C35H40F3N11O2.C35H39F3N10O3/c1-29(2)48(62)56-35-8-12-43-39(22-35)38-21-32(7-11-42(38)60(43)27-31-5-4-6-34(49)19-31)33-20-36(24-50-23-33)65-18-17-64-16-15-63-14-13-59-44(61)26-52-46-47(59)57-41(25-51-46)37-9-10-40(55-30(37)3)45-53-28-54-58-45;1-4-25-17-27(13-15-49(25)26-10-9-24(19-40)29(18-26)36(37,38)39)51-16-8-6-7-14-47-21-32(50)48(5-2)35-34(47)41-20-31(45-35)28-11-12-30(44-23(28)3)33-42-22-43-46-33;1-4-25-16-24(10-12-49(25)26-7-6-23(18-39)28(17-26)35(36,37)38)40-11-14-51-15-13-47-20-31(50)48(5-2)34-33(47)41-19-30(45-34)27-8-9-29(44-22(27)3)32-42-21-43-46-32;1-4-24-16-26(10-11-48(24)25-7-6-23(18-39)28(17-25)35(36,37)38)51-15-14-50-13-12-46-20-31(49)47(5-2)34-33(46)40-19-30(44-34)27-8-9-29(43-22(27)3)32-41-21-42-45-32/h4-7,9-11,19-21,23-25,28-29,35H,8,12-18,22,26-27H2,1-3H3,(H,51,52)(H,56,62)(H,53,54,58);9-12,18,20,22,25,27H,4-8,13-17,21H2,1-3H3,(H,42,43,46);6-9,17,19,21,24-25,40H,4-5,10-16,20H2,1-3H3,(H,42,43,46);6-9,17,19,21,24,26H,4-5,10-16,20H2,1-3H3,(H,41,42,45)/t35-;25-,27?;24?,25-;24-,26?/m1000/s1
InChIKeyKYYBZFPKPKFBAD-MPQWZBFESA-N
MW2991.32 g/mol
LogP22.59
Rot. Bonds53

About 4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethylamino]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[5-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]pentoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;N-[(3R)-9-[(3-fluorophenyl)methyl]-6-[5-[2-[2-[2-[3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-5-yl]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide

4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethylamino]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[5-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]pentoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;N-[(3R)-9-[(3-fluorophenyl)methyl]-6-[5-[2-[2-[2-[3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-5-yl]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide (PubChem CID 159281218) has the molecular formula C154H170F10N42O12 and a molecular weight of 2991.32 g/mol. Its IUPAC name is 4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethylamino]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[5-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]pentoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;N-[(3R)-9-[(3-fluorophenyl)methyl]-6-[5-[2-[2-[2-[3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-5-yl]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound Name4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethylamino]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[5-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]pentoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;N-[(3R)-9-[(3-fluorophenyl)methyl]-6-[5-[2-[2-[2-[3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-5-yl]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
PubChem CID159281218
Molecular FormulaC154H170F10N42O12
Molecular Weight2991.32 g/mol
Exact Mass2989.38
IUPAC Name4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethylamino]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[5-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]pentoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;N-[(3R)-9-[(3-fluorophenyl)methyl]-6-[5-[2-[2-[2-[3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-5-yl]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
SMILESCC[C@H]1CC(NCCOCCN2CC(=O)N(CC)c3nc(-c4ccc(-c5ncn[nH]5)nc4C)cnc32)CCN1c1ccc(C#N)c(C(F)(F)F)c1.CC[C@H]1CC(OCCCCCN2CC(=O)N(CC)c3nc(-c4ccc(-c5ncn[nH]5)nc4C)cnc32)CCN1c1ccc(C#N)c(C(F)(F)F)c1.CC[C@H]1CC(OCCOCCN2CC(=O)N(CC)c3nc(-c4ccc(-c5ncn[nH]5)nc4C)cnc32)CCN1c1ccc(C#N)c(C(F)(F)F)c1.Cc1nc(-c2ncn[nH]2)ccc1-c1cnc2c(n1)N(CCOCCOCCOc1cncc(-c3ccc4c(c3)c3c(n4Cc4cccc(F)c4)CC[C@@H](NC(=O)C(C)C)C3)c1)C(=O)CN2
InChIInChI=1S/C48H50FN11O5.C36H41F3N10O2.C35H40F3N11O2.C35H39F3N10O3/c1-29(2)48(62)56-35-8-12-43-39(22-35)38-21-32(7-11-42(38)60(43)27-31-5-4-6-34(49)19-31)33-20-36(24-50-23-33)65-18-17-64-16-15-63-14-13-59-44(61)26-52-46-47(59)57-41(25-51-46)37-9-10-40(55-30(37)3)45-53-28-54-58-45;1-4-25-17-27(13-15-49(25)26-10-9-24(19-40)29(18-26)36(37,38)39)51-16-8-6-7-14-47-21-32(50)48(5-2)35-34(47)41-20-31(45-35)28-11-12-30(44-23(28)3)33-42-22-43-46-33;1-4-25-16-24(10-12-49(25)26-7-6-23(18-39)28(17-26)35(36,37)38)40-11-14-51-15-13-47-20-31(50)48(5-2)34-33(47)41-19-30(45-34)27-8-9-29(44-22(27)3)32-42-21-43-46-32;1-4-24-16-26(10-11-48(24)25-7-6-23(18-39)28(17-25)35(36,37)38)51-15-14-50-13-12-46-20-31(49)47(5-2)34-33(46)40-19-30(44-34)27-8-9-29(43-22(27)3)32-41-21-42-45-32/h4-7,9-11,19-21,23-25,28-29,35H,8,12-18,22,26-27H2,1-3H3,(H,51,52)(H,56,62)(H,53,54,58);9-12,18,20,22,25,27H,4-8,13-17,21H2,1-3H3,(H,42,43,46);6-9,17,19,21,24-25,40H,4-5,10-16,20H2,1-3H3,(H,42,43,46);6-9,17,19,21,24,26H,4-5,10-16,20H2,1-3H3,(H,41,42,45)/t35-;25-,27?;24?,25-;24-,26?/m1000/s1
InChIKeyKYYBZFPKPKFBAD-MPQWZBFESA-N
XLogP22.59
TPSA628.60 Ų
H-Bond Donors7
H-Bond Acceptors45
Rotatable Bonds53
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002991.32
LogP ≤ 522.59
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethylamino]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[5-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]pentoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;N-[(3R)-9-[(3-fluorophenyl)methyl]-6-[5-[2-[2-[2-[3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-5-yl]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(3R)-9-[(3-fluorophenyl)methyl]-6-[5-[2-[2-[2-[3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-5-yl]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
CID 153291484
2-[3-[6-[4-[2-[3-[6-[2-[[2-[3-[5-fluoro-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]acetyl]amino]propyl]-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]acetyl]morpholin-2-yl]-4-[4-(1H-pyrazol-4-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 155227879
N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[2-(2,2-difluoropropoxy)ethylamino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol
CID 157354430
4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-methylbenzimidazol-5-yl]pyrimidin-2-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-(1H-pyrazol-4-yl)benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-pyridin-4-ylbenzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-6-pyridin-4-yl-1H-benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-4-yl-4-(trifluoromethyl)-1H-benzimidazole
CID 158062262
CID 158407473
CID 158407473
CID 159730227
CID 159730227
CID 160672957
CID 160672957
CID 161976274
CID 161976274
CID 164019256
CID 164019256
N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[8-(2-fluoro-4-methylanilino)-7H-purin-2-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-pyridinyl]acetamide
CID 164998460
3-(2-cyclopropylindazol-5-yl)-7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]benzonitrile;3-(4-methoxyphenyl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one
CID 165064721
N-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[8-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]-7H-purin-2-yl]oxy]-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[8-(2-fluoro-4-methylanilino)-7H-purin-2-yl]oxy]-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-pyridinyl]acetamide
CID 165069729

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethylamino]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[5-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]pentoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;N-[(3R)-9-[(3-fluorophenyl)methyl]-6-[5-[2-[2-[2-[3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-5-yl]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide?
The IUPAC name of 4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethylamino]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[5-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]pentoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;N-[(3R)-9-[(3-fluorophenyl)methyl]-6-[5-[2-[2-[2-[3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-5-yl]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide (CID 159281218) is 4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethylamino]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[5-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]pentoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;N-[(3R)-9-[(3-fluorophenyl)methyl]-6-[5-[2-[2-[2-[3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-5-yl]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide.
What is the SMILES notation for 4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethylamino]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[5-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]pentoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;N-[(3R)-9-[(3-fluorophenyl)methyl]-6-[5-[2-[2-[2-[3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-5-yl]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide?
The canonical SMILES for 4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethylamino]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[5-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]pentoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;N-[(3R)-9-[(3-fluorophenyl)methyl]-6-[5-[2-[2-[2-[3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-5-yl]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide is CC[C@H]1CC(NCCOCCN2CC(=O)N(CC)c3nc(-c4ccc(-c5ncn[nH]5)nc4C)cnc32)CCN1c1ccc(C#N)c(C(F)(F)F)c1.CC[C@H]1CC(OCCCCCN2CC(=O)N(CC)c3nc(-c4ccc(-c5ncn[nH]5)nc4C)cnc32)CCN1c1ccc(C#N)c(C(F)(F)F)c1.CC[C@H]1CC(OCCOCCN2CC(=O)N(CC)c3nc(-c4ccc(-c5ncn[nH]5)nc4C)cnc32)CCN1c1ccc(C#N)c(C(F)(F)F)c1.Cc1nc(-c2ncn[nH]2)ccc1-c1cnc2c(n1)N(CCOCCOCCOc1cncc(-c3ccc4c(c3)c3c(n4Cc4cccc(F)c4)CC[C@@H](NC(=O)C(C)C)C3)c1)C(=O)CN2.
What is the InChIKey of 4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethylamino]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[5-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]pentoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;N-[(3R)-9-[(3-fluorophenyl)methyl]-6-[5-[2-[2-[2-[3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-5-yl]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide?
The InChIKey is KYYBZFPKPKFBAD-MPQWZBFESA-N. The full InChI is InChI=1S/C48H50FN11O5.C36H41F3N10O2.C35H40F3N11O2.C35H39F3N10O3/c1-29(2)48(62)56-35-8-12-43-39(22-35)38-21-32(7-11-42(38)60(43)27-31-5-4-6-34(49)19-31)33-20-36(24-50-23-33)65-18-17-64-16-15-63-14-13-59-44(61)26-52-46-47(59)57-41(25-51-46)37-9-10-40(55-30(37)3)45-53-28-54-58-45;1-4-25-17-27(13-15-49(25)26-10-9-24(19-40)29(18-26)36(37,38)39)51-16-8-6-7-14-47-21-32(50)48(5-2)35-34(47)41-20-31(45-35)28-11-12-30(44-23(28)3)33-42-22-43-46-33;1-4-25-16-24(10-12-49(25)26-7-6-23(18-39)28(17-26)35(36,37)38)40-11-14-51-15-13-47-20-31(50)48(5-2)34-33(47)41-19-30(45-34)27-8-9-29(44-22(27)3)32-42-21-43-46-32;1-4-24-16-26(10-11-48(24)25-7-6-23(18-39)28(17-25)35(36,37)38)51-15-14-50-13-12-46-20-31(49)47(5-2)34-33(46)40-19-30(44-34)27-8-9-29(43-22(27)3)32-41-21-42-45-32/h4-7,9-11,19-21,23-25,28-29,35H,8,12-18,22,26-27H2,1-3H3,(H,51,52)(H,56,62)(H,53,54,58);9-12,18,20,22,25,27H,4-8,13-17,21H2,1-3H3,(H,42,43,46);6-9,17,19,21,24-25,40H,4-5,10-16,20H2,1-3H3,(H,42,43,46);6-9,17,19,21,24,26H,4-5,10-16,20H2,1-3H3,(H,41,42,45)/t35-;25-,27?;24?,25-;24-,26?/m1000/s1.
What are the key properties of 4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethylamino]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[5-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]pentoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;N-[(3R)-9-[(3-fluorophenyl)methyl]-6-[5-[2-[2-[2-[3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-5-yl]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide?
4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethylamino]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[5-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]pentoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;N-[(3R)-9-[(3-fluorophenyl)methyl]-6-[5-[2-[2-[2-[3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-5-yl]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide has a molecular weight of 2991.32 g/mol, XLogP of 22.59, 53 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[2-[2-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]ethoxy]ethylamino]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-[(2S)-2-ethyl-4-[5-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]pentoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile;N-[(3R)-9-[(3-fluorophenyl)methyl]-6-[5-[2-[2-[2-[3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-5-yl]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide is sourced from PubChem (CID 159281218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).