6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;(Z)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-cyclopropyl-2-isocyanoprop-2-en-1-one;(E)-4-(dimethylamino)-N-[7-fluoro-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide;N-[3-[[5-fluoro-2-(4-propoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide

C155H149F2N35O14 — CID 159267862

IUPAC6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;(Z)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-cyclopropyl-2-isocyanoprop-2-en-1-one;(E)-4-(dimethylamino)-N-[7-fluoro-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide;N-[3-[[5-fluoro-2-(4-propoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide
SMILESC=CC(=O)CCC(=O)Nc1cccc(Nc2ncc(CC(=O)c3cc(NC(=O)c4cccc(C)c4)ccc3C)cn2)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCC)cc3)ncc2F)c1.CC#CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1.Cc1ccccc1Nc1nc2cc(F)c(N(C)C(=O)/C=C/CN(C)C)cc2n2cncc12.N#CN1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)c2N)C1.[C-]#[N+]/C(=C\C1CC1)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
InChIInChI=1S/C33H31N5O4.C29H27N7O2.C25H22N6O3.C24H25FN6O.C22H22FN5O2.C22H22N6O2/c1-4-28(39)13-14-31(41)36-25-9-6-10-26(17-25)38-33-34-19-23(20-35-33)16-30(40)29-18-27(12-11-22(29)3)37-32(42)24-8-5-7-21(2)15-24;1-31-24(16-19-9-10-19)29(37)35-15-5-6-21(17-35)36-28-25(27(30)32-18-33-28)26(34-36)20-11-13-23(14-12-20)38-22-7-3-2-4-8-22;1-2-6-21(32)29-14-13-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19;1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3;1-3-12-30-18-10-8-15(9-11-18)27-22-24-14-19(23)21(28-22)26-17-7-5-6-16(13-17)25-20(29)4-2;23-14-27-12-4-5-16(13-27)28-21(24)19(22(25)29)20(26-28)15-8-10-18(11-9-15)30-17-6-2-1-3-7-17/h4-12,15,17-20H,1,13-14,16H2,2-3H3,(H,36,41)(H,37,42)(H,34,35,38);2-4,7-8,11-14,16,18-19,21H,5-6,9-10,15,17H2,(H2,30,32,33);3-5,7-12,16,18H,13-15H2,1H3,(H2,26,27,28);5-10,12-15H,11H2,1-4H3,(H,27,28);4-11,13-14H,2-3,12H2,1H3,(H,25,29)(H2,24,26,27,28);1-3,6-11,16H,4-5,12-13,24H2,(H2,25,29)/b;24-16-;;10-7+;;/t;21-;18-;;;16-/m.11..1/s1
InChIKeyKXIGJRXOWYIOMW-PWVDNFPLSA-N
MW2764.12 g/mol
LogP26.30
Rot. Bonds42

About 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;(Z)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-cyclopropyl-2-isocyanoprop-2-en-1-one;(E)-4-(dimethylamino)-N-[7-fluoro-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide;N-[3-[[5-fluoro-2-(4-propoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide

6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;(Z)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-cyclopropyl-2-isocyanoprop-2-en-1-one;(E)-4-(dimethylamino)-N-[7-fluoro-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide;N-[3-[[5-fluoro-2-(4-propoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide (PubChem CID 159267862) has the molecular formula C155H149F2N35O14 and a molecular weight of 2764.12 g/mol. Its IUPAC name is 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;(Z)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-cyclopropyl-2-isocyanoprop-2-en-1-one;(E)-4-(dimethylamino)-N-[7-fluoro-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide;N-[3-[[5-fluoro-2-(4-propoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide.

Molecular Properties

Compound Name6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;(Z)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-cyclopropyl-2-isocyanoprop-2-en-1-one;(E)-4-(dimethylamino)-N-[7-fluoro-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide;N-[3-[[5-fluoro-2-(4-propoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide
PubChem CID159267862
Molecular FormulaC155H149F2N35O14
Molecular Weight2764.12 g/mol
Exact Mass2762.20
IUPAC Name6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;(Z)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-cyclopropyl-2-isocyanoprop-2-en-1-one;(E)-4-(dimethylamino)-N-[7-fluoro-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide;N-[3-[[5-fluoro-2-(4-propoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide
SMILESC=CC(=O)CCC(=O)Nc1cccc(Nc2ncc(CC(=O)c3cc(NC(=O)c4cccc(C)c4)ccc3C)cn2)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCC)cc3)ncc2F)c1.CC#CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1.Cc1ccccc1Nc1nc2cc(F)c(N(C)C(=O)/C=C/CN(C)C)cc2n2cncc12.N#CN1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)c2N)C1.[C-]#[N+]/C(=C\C1CC1)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
InChIInChI=1S/C33H31N5O4.C29H27N7O2.C25H22N6O3.C24H25FN6O.C22H22FN5O2.C22H22N6O2/c1-4-28(39)13-14-31(41)36-25-9-6-10-26(17-25)38-33-34-19-23(20-35-33)16-30(40)29-18-27(12-11-22(29)3)37-32(42)24-8-5-7-21(2)15-24;1-31-24(16-19-9-10-19)29(37)35-15-5-6-21(17-35)36-28-25(27(30)32-18-33-28)26(34-36)20-11-13-23(14-12-20)38-22-7-3-2-4-8-22;1-2-6-21(32)29-14-13-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19;1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3;1-3-12-30-18-10-8-15(9-11-18)27-22-24-14-19(23)21(28-22)26-17-7-5-6-16(13-17)25-20(29)4-2;23-14-27-12-4-5-16(13-27)28-21(24)19(22(25)29)20(26-28)15-8-10-18(11-9-15)30-17-6-2-1-3-7-17/h4-12,15,17-20H,1,13-14,16H2,2-3H3,(H,36,41)(H,37,42)(H,34,35,38);2-4,7-8,11-14,16,18-19,21H,5-6,9-10,15,17H2,(H2,30,32,33);3-5,7-12,16,18H,13-15H2,1H3,(H2,26,27,28);5-10,12-15H,11H2,1-4H3,(H,27,28);4-11,13-14H,2-3,12H2,1H3,(H,25,29)(H2,24,26,27,28);1-3,6-11,16H,4-5,12-13,24H2,(H2,25,29)/b;24-16-;;10-7+;;/t;21-;18-;;;16-/m.11..1/s1
InChIKeyKXIGJRXOWYIOMW-PWVDNFPLSA-N
XLogP26.30
TPSA619.07 Ų
H-Bond Donors11
H-Bond Acceptors41
Rotatable Bonds42
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002764.12
LogP ≤ 526.30
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;(Z)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-cyclopropyl-2-isocyanoprop-2-en-1-one;(E)-4-(dimethylamino)-N-[7-fluoro-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide;N-[3-[[5-fluoro-2-(4-propoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide with MolForge

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Related Compounds

6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;(Z)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-cyclopropyl-2-isocyanoprop-2-en-1-one;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]-3-(trifluoromethyl)benzamide
CID 158143631
2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 158469132
6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;4-[8-amino-3-[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide;5-amino-1-[(3R)-1-methylpiperidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;(Z)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-cyclopropyl-2-isocyanoprop-2-en-1-one;N-[3-[5-chloro-2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[7-fluoro-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide;N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[4-(morpholine-4-carbonyl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]prop-2-enamide
CID 158503580
4-[4-[(3-tert-butyl-1-quinolin-6-ylpyrazol-5-yl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(6-ethylpyrimidin-4-yl)oxyphenyl]urea;3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 159554086
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[2-cyclopentyl-4-(trifluoromethyl)imidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1,1-difluoroethyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-indazol-1-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide
CID 159684710
3-[2-(benzimidazol-1-yl)ethynyl]-N-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(4,7-dimethylbenzimidazol-1-yl)ethynyl]-N-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-[2-methyl-5-[[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]ethynyl]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide;4-methyl-3-[2-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethynyl]-N-[4-(2-pyrrolidin-1-ylethoxy)-3-(trifluoromethyl)phenyl]benzamide
CID 159866910
2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 159904961
8-tert-butylisoquinoline;4-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;1-tert-butyl-6-(1-methylpyrazol-4-yl)indole;4-tert-butyl-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;8-tert-butyl-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine;5-tert-butylquinazolin-2-amine;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 160208400
1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(2-fluoro-3-methoxy-6-pyrazolo[1,5-a]pyridin-2-ylphenyl)methyl]triazole-4-carboxamide;3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methyl]imidazole-4-carboxamide;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(2,6-difluoro-3-methoxyphenyl)propan-1-one;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-(1,2,4-triazol-1-yl)phenyl]propan-1-one;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-[2-fluoro-3-methoxy-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]propan-1-one;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-phenylpropan-1-one
CID 160229319
1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;5-amino-1-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenyl]imidazole-4-carboxamide;N-[4-(6-aminopurin-9-yl)phenyl]-2-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide;methyl N-[6-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenoxy]-3H-indol-2-yl]carbamate;N-methyl-4-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;1-[4-[(5-oxo-8H-quinazolin-4-yl)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-(4-pyridin-4-yloxyphenyl)-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea
CID 160464199
2-[6-[1-(1-Acetylpyrrolidin-3-yl)imidazol-2-yl]-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)phthalazin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-fluoro-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]chromen-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-(1-pyrrolidin-3-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]phthalazin-1-one
CID 160714189
1-[5-(8-tert-butyl-7-fluoroisoquinolin-3-yl)-2-pyridinyl]propan-1-one;8-tert-butyl-2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butylisoquinoline;4-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-tert-butyl-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;8-tert-butyl-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine;5-tert-butylquinazolin-2-amine;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 160753487

Frequently Asked Questions

What is the IUPAC name of 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;(Z)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-cyclopropyl-2-isocyanoprop-2-en-1-one;(E)-4-(dimethylamino)-N-[7-fluoro-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide;N-[3-[[5-fluoro-2-(4-propoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide?
The IUPAC name of 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;(Z)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-cyclopropyl-2-isocyanoprop-2-en-1-one;(E)-4-(dimethylamino)-N-[7-fluoro-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide;N-[3-[[5-fluoro-2-(4-propoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide (CID 159267862) is 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;(Z)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-cyclopropyl-2-isocyanoprop-2-en-1-one;(E)-4-(dimethylamino)-N-[7-fluoro-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide;N-[3-[[5-fluoro-2-(4-propoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide.
What is the SMILES notation for 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;(Z)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-cyclopropyl-2-isocyanoprop-2-en-1-one;(E)-4-(dimethylamino)-N-[7-fluoro-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide;N-[3-[[5-fluoro-2-(4-propoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide?
The canonical SMILES for 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;(Z)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-cyclopropyl-2-isocyanoprop-2-en-1-one;(E)-4-(dimethylamino)-N-[7-fluoro-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide;N-[3-[[5-fluoro-2-(4-propoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide is C=CC(=O)CCC(=O)Nc1cccc(Nc2ncc(CC(=O)c3cc(NC(=O)c4cccc(C)c4)ccc3C)cn2)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCC)cc3)ncc2F)c1.CC#CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1.Cc1ccccc1Nc1nc2cc(F)c(N(C)C(=O)/C=C/CN(C)C)cc2n2cncc12.N#CN1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)c2N)C1.[C-]#[N+]/C(=C\C1CC1)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1.
What is the InChIKey of 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;(Z)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-cyclopropyl-2-isocyanoprop-2-en-1-one;(E)-4-(dimethylamino)-N-[7-fluoro-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide;N-[3-[[5-fluoro-2-(4-propoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide?
The InChIKey is KXIGJRXOWYIOMW-PWVDNFPLSA-N. The full InChI is InChI=1S/C33H31N5O4.C29H27N7O2.C25H22N6O3.C24H25FN6O.C22H22FN5O2.C22H22N6O2/c1-4-28(39)13-14-31(41)36-25-9-6-10-26(17-25)38-33-34-19-23(20-35-33)16-30(40)29-18-27(12-11-22(29)3)37-32(42)24-8-5-7-21(2)15-24;1-31-24(16-19-9-10-19)29(37)35-15-5-6-21(17-35)36-28-25(27(30)32-18-33-28)26(34-36)20-11-13-23(14-12-20)38-22-7-3-2-4-8-22;1-2-6-21(32)29-14-13-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19;1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3;1-3-12-30-18-10-8-15(9-11-18)27-22-24-14-19(23)21(28-22)26-17-7-5-6-16(13-17)25-20(29)4-2;23-14-27-12-4-5-16(13-27)28-21(24)19(22(25)29)20(26-28)15-8-10-18(11-9-15)30-17-6-2-1-3-7-17/h4-12,15,17-20H,1,13-14,16H2,2-3H3,(H,36,41)(H,37,42)(H,34,35,38);2-4,7-8,11-14,16,18-19,21H,5-6,9-10,15,17H2,(H2,30,32,33);3-5,7-12,16,18H,13-15H2,1H3,(H2,26,27,28);5-10,12-15H,11H2,1-4H3,(H,27,28);4-11,13-14H,2-3,12H2,1H3,(H,25,29)(H2,24,26,27,28);1-3,6-11,16H,4-5,12-13,24H2,(H2,25,29)/b;24-16-;;10-7+;;/t;21-;18-;;;16-/m.11..1/s1.
What are the key properties of 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;(Z)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-cyclopropyl-2-isocyanoprop-2-en-1-one;(E)-4-(dimethylamino)-N-[7-fluoro-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide;N-[3-[[5-fluoro-2-(4-propoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide?
6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;(Z)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-cyclopropyl-2-isocyanoprop-2-en-1-one;(E)-4-(dimethylamino)-N-[7-fluoro-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide;N-[3-[[5-fluoro-2-(4-propoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide has a molecular weight of 2764.12 g/mol, XLogP of 26.30, 42 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;(Z)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-cyclopropyl-2-isocyanoprop-2-en-1-one;(E)-4-(dimethylamino)-N-[7-fluoro-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide;N-[3-[[5-fluoro-2-(4-propoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide is sourced from PubChem (CID 159267862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).