3-amino-6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-5-fluoro-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazine-2-carboxamide;1-ethyl-4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-6-carboxamide;8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide

C124H112F8N28O16 — CID 158473418

IUPAC3-amino-6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-5-fluoro-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazine-2-carboxamide;1-ethyl-4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-6-carboxamide;8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide
SMILESC=C1N(C)CC[C@@]1(O)C#Cc1cc(-c2nc(C(N)=O)c(N)cc2F)ccc1F.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2nc(C(N)=O)cn3c(C(F)(F)F)cnc23)c1.CC(C)n1ncc2c(-c3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)nc(C(N)=O)cc21.CCn1ncc2c(-c3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)nc(C(N)=O)cc21.CN1CC[C@@](O)(C#Cc2cc(-c3ccc(N)c(C(N)=O)n3)c(F)cc2F)C1=O.CN1CC[C@@](O)(C#Cc2ccc(F)c(-c3cnc(N)c(C(N)=O)n3)c2)C1=O
InChIInChI=1S/C23H23N5O3.C22H18F3N5O2.C22H21N5O3.C20H18F2N4O2.C19H16F2N4O3.C18H16FN5O3/c1-14(2)28-19-12-18(21(24)29)26-20(17(19)13-25-28)16-6-4-5-15(11-16)7-8-23(31)9-10-27(3)22(23)30;1-13-21(32,8-9-29(13)2)7-6-14-4-3-5-15(10-14)18-20-27-11-17(22(23,24)25)30(20)12-16(28-18)19(26)31;1-3-27-18-12-17(20(23)28)25-19(16(18)13-24-27)15-6-4-5-14(11-15)7-8-22(30)9-10-26(2)21(22)29;1-11-20(28,7-8-26(11)2)6-5-12-9-13(3-4-14(12)21)17-15(22)10-16(23)18(25-17)19(24)27;1-25-7-6-19(28,18(25)27)5-4-10-8-11(13(21)9-12(10)20)15-3-2-14(22)16(24-15)17(23)26;1-24-7-6-18(27,17(24)26)5-4-10-2-3-12(19)11(8-10)13-9-22-15(20)14(23-13)16(21)25/h4-6,11-14,31H,9-10H2,1-3H3,(H2,24,29);3-5,10-12,32H,1,8-9H2,2H3,(H2,26,31);4-6,11-13,30H,3,9-10H2,1-2H3,(H2,23,28);3-4,9-10,28H,1,7-8,23H2,2H3,(H2,24,27);2-3,8-9,28H,6-7,22H2,1H3,(H2,23,26);2-3,8-9,27H,6-7H2,1H3,(H2,20,22)(H2,21,25)/t23-;21-;22-;20-;19-;18-/m000000/s1
InChIKeyHGQALLYPHWSEPZ-JWBOSLROSA-N
MW2402.42 g/mol
LogP7.53
Rot. Bonds14

About 3-amino-6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-5-fluoro-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazine-2-carboxamide;1-ethyl-4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-6-carboxamide;8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide

3-amino-6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-5-fluoro-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazine-2-carboxamide;1-ethyl-4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-6-carboxamide;8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide (PubChem CID 158473418) has the molecular formula C124H112F8N28O16 and a molecular weight of 2402.42 g/mol. Its IUPAC name is 3-amino-6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-5-fluoro-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazine-2-carboxamide;1-ethyl-4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-6-carboxamide;8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-amino-6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-5-fluoro-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazine-2-carboxamide;1-ethyl-4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-6-carboxamide;8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide
PubChem CID158473418
Molecular FormulaC124H112F8N28O16
Molecular Weight2402.42 g/mol
Exact Mass2400.87
IUPAC Name3-amino-6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-5-fluoro-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazine-2-carboxamide;1-ethyl-4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-6-carboxamide;8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide
SMILESC=C1N(C)CC[C@@]1(O)C#Cc1cc(-c2nc(C(N)=O)c(N)cc2F)ccc1F.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2nc(C(N)=O)cn3c(C(F)(F)F)cnc23)c1.CC(C)n1ncc2c(-c3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)nc(C(N)=O)cc21.CCn1ncc2c(-c3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)nc(C(N)=O)cc21.CN1CC[C@@](O)(C#Cc2cc(-c3ccc(N)c(C(N)=O)n3)c(F)cc2F)C1=O.CN1CC[C@@](O)(C#Cc2ccc(F)c(-c3cnc(N)c(C(N)=O)n3)c2)C1=O
InChIInChI=1S/C23H23N5O3.C22H18F3N5O2.C22H21N5O3.C20H18F2N4O2.C19H16F2N4O3.C18H16FN5O3/c1-14(2)28-19-12-18(21(24)29)26-20(17(19)13-25-28)16-6-4-5-15(11-16)7-8-23(31)9-10-27(3)22(23)30;1-13-21(32,8-9-29(13)2)7-6-14-4-3-5-15(10-14)18-20-27-11-17(22(23,24)25)30(20)12-16(28-18)19(26)31;1-3-27-18-12-17(20(23)28)25-19(16(18)13-24-27)15-6-4-5-14(11-15)7-8-22(30)9-10-26(2)21(22)29;1-11-20(28,7-8-26(11)2)6-5-12-9-13(3-4-14(12)21)17-15(22)10-16(23)18(25-17)19(24)27;1-25-7-6-19(28,18(25)27)5-4-10-8-11(13(21)9-12(10)20)15-3-2-14(22)16(24-15)17(23)26;1-24-7-6-18(27,17(24)26)5-4-10-2-3-12(19)11(8-10)13-9-22-15(20)14(23-13)16(21)25/h4-6,11-14,31H,9-10H2,1-3H3,(H2,24,29);3-5,10-12,32H,1,8-9H2,2H3,(H2,26,31);4-6,11-13,30H,3,9-10H2,1-2H3,(H2,23,28);3-4,9-10,28H,1,7-8,23H2,2H3,(H2,24,27);2-3,8-9,28H,6-7,22H2,1H3,(H2,23,26);2-3,8-9,27H,6-7H2,1H3,(H2,20,22)(H2,21,25)/t23-;21-;22-;20-;19-;18-/m000000/s1
InChIKeyHGQALLYPHWSEPZ-JWBOSLROSA-N
XLogP7.53
TPSA688.87 Ų
H-Bond Donors15
H-Bond Acceptors34
Rotatable Bonds14
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002402.42
LogP ≤ 57.53
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 3-amino-6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-5-fluoro-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazine-2-carboxamide;1-ethyl-4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-6-carboxamide;8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide with MolForge

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Related Compounds

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[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2H-pyrrol-4-yl)piperazin-2-one;[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-imidazole-4-carbonyl)piperazin-1-yl]methanone;3,3,3-trifluoro-1-[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
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4-[8-Tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2-methyltetrazol-5-yl)piperazin-2-one;1-[4-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-[6-(3-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-[6-[3-fluoro-4-(trifluoromethyl)phenyl]-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
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8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
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1-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-phenylethanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-phenylmethanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-4-(1H-imidazole-2-carbonyl)-3-methylpiperazin-1-yl]methanone
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[4-[8-tert-butyl-6-(3-methylphenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;[4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone
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CID 157558355

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-5-fluoro-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazine-2-carboxamide;1-ethyl-4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-6-carboxamide;8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide?
The IUPAC name of 3-amino-6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-5-fluoro-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazine-2-carboxamide;1-ethyl-4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-6-carboxamide;8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide (CID 158473418) is 3-amino-6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-5-fluoro-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazine-2-carboxamide;1-ethyl-4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-6-carboxamide;8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide.
What is the SMILES notation for 3-amino-6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-5-fluoro-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazine-2-carboxamide;1-ethyl-4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-6-carboxamide;8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide?
The canonical SMILES for 3-amino-6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-5-fluoro-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazine-2-carboxamide;1-ethyl-4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-6-carboxamide;8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide is C=C1N(C)CC[C@@]1(O)C#Cc1cc(-c2nc(C(N)=O)c(N)cc2F)ccc1F.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2nc(C(N)=O)cn3c(C(F)(F)F)cnc23)c1.CC(C)n1ncc2c(-c3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)nc(C(N)=O)cc21.CCn1ncc2c(-c3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)nc(C(N)=O)cc21.CN1CC[C@@](O)(C#Cc2cc(-c3ccc(N)c(C(N)=O)n3)c(F)cc2F)C1=O.CN1CC[C@@](O)(C#Cc2ccc(F)c(-c3cnc(N)c(C(N)=O)n3)c2)C1=O.
What is the InChIKey of 3-amino-6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-5-fluoro-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazine-2-carboxamide;1-ethyl-4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-6-carboxamide;8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide?
The InChIKey is HGQALLYPHWSEPZ-JWBOSLROSA-N. The full InChI is InChI=1S/C23H23N5O3.C22H18F3N5O2.C22H21N5O3.C20H18F2N4O2.C19H16F2N4O3.C18H16FN5O3/c1-14(2)28-19-12-18(21(24)29)26-20(17(19)13-25-28)16-6-4-5-15(11-16)7-8-23(31)9-10-27(3)22(23)30;1-13-21(32,8-9-29(13)2)7-6-14-4-3-5-15(10-14)18-20-27-11-17(22(23,24)25)30(20)12-16(28-18)19(26)31;1-3-27-18-12-17(20(23)28)25-19(16(18)13-24-27)15-6-4-5-14(11-15)7-8-22(30)9-10-26(2)21(22)29;1-11-20(28,7-8-26(11)2)6-5-12-9-13(3-4-14(12)21)17-15(22)10-16(23)18(25-17)19(24)27;1-25-7-6-19(28,18(25)27)5-4-10-8-11(13(21)9-12(10)20)15-3-2-14(22)16(24-15)17(23)26;1-24-7-6-18(27,17(24)26)5-4-10-2-3-12(19)11(8-10)13-9-22-15(20)14(23-13)16(21)25/h4-6,11-14,31H,9-10H2,1-3H3,(H2,24,29);3-5,10-12,32H,1,8-9H2,2H3,(H2,26,31);4-6,11-13,30H,3,9-10H2,1-2H3,(H2,23,28);3-4,9-10,28H,1,7-8,23H2,2H3,(H2,24,27);2-3,8-9,28H,6-7,22H2,1H3,(H2,23,26);2-3,8-9,27H,6-7H2,1H3,(H2,20,22)(H2,21,25)/t23-;21-;22-;20-;19-;18-/m000000/s1.
What are the key properties of 3-amino-6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-5-fluoro-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazine-2-carboxamide;1-ethyl-4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-6-carboxamide;8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide?
3-amino-6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-5-fluoro-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazine-2-carboxamide;1-ethyl-4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-6-carboxamide;8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide has a molecular weight of 2402.42 g/mol, XLogP of 7.53, 14 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-5-fluoro-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;3-amino-6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazine-2-carboxamide;1-ethyl-4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-6-carboxamide;8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxamide;4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 158473418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).