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;6-amino-9-[(3R)-1-[(Z)-3-cyclopropyl-2-isocyanoprop-2-enoyl]piperidin-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;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;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide;N-[3-[6-[4-(morpholine-4-carbonyl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]prop-2-enamide

C212H206ClFN50O21 — CID 158469337

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;6-amino-9-[(3R)-1-[(Z)-3-cyclopropyl-2-isocyanoprop-2-enoyl]piperidin-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;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;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide;N-[3-[6-[4-(morpholine-4-carbonyl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)CCC(=O)Nc1cccc(Nc2ncc(CC(=O)c3cc(NC(=O)c4cccc(C)c4)ccc3C)cn2)c1.C=CC(=O)Nc1cccc(-c2nc(Nc3ccc(C(=O)N4CCOCC4)cc3)nc3[nH]ncc23)c1.C=CC(=O)Nc1cccc(-c2nc(Nc3ccc(C(=O)N4CCOCC4)cc3)ncc2Cl)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.Cc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCCN4C(=O)/C=C/CN(C)C)n4ccnc(N)c34)cc2)c1.N#CN1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)c2N)C1.[C-]#[N+]/C(=C\C1CC1)C(=O)N1CCC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
InChIInChI=1S/C33H31N5O4.C30H34N8O2.C29H27N7O3.C25H23N7O3.C25H22N6O3.C24H22ClN5O3.C24H25FN6O.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;1-20-13-14-32-24(19-20)34-30(40)22-11-9-21(10-12-22)26-27-28(31)33-15-18-38(27)29(35-26)23-7-4-5-17-37(23)25(39)8-6-16-36(2)3;1-31-24(16-19-9-10-19)28(37)34-15-5-6-21(17-34)36-27-25(26(30)32-18-33-27)35(29(36)38)20-11-13-23(14-12-20)39-22-7-3-2-4-8-22;1-2-21(33)27-19-5-3-4-17(14-19)22-20-15-26-31-23(20)30-25(29-22)28-18-8-6-16(7-9-18)24(34)32-10-12-35-13-11-32;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;1-2-21(31)27-19-5-3-4-17(14-19)22-20(25)15-26-24(29-22)28-18-8-6-16(7-9-18)23(32)30-10-12-33-13-11-30;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;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);6,8-15,18-19,23H,4-5,7,16-17H2,1-3H3,(H2,31,33)(H,32,34,40);2-4,7-8,11-14,16,18-19,21H,5-6,9-10,15,17H2,(H2,30,32,33);2-9,14-15H,1,10-13H2,(H,27,33)(H2,26,28,29,30,31);3-5,7-12,16,18H,13-15H2,1H3,(H2,26,27,28);2-9,14-15H,1,10-13H2,(H,27,31)(H,26,28,29);5-10,12-15H,11H2,1-4H3,(H,27,28);1-3,6-11,16H,4-5,12-13,24H2,(H2,25,29)/b;8-6+;24-16-;;;;10-7+;/t;23-;21-;;18-;;;16-/m.01.1..1/s1
InChIKeyHGDRHZMJBVSEBC-OQOJFHITSA-N
MW3844.76 g/mol
LogP31.97
Rot. Bonds52

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;6-amino-9-[(3R)-1-[(Z)-3-cyclopropyl-2-isocyanoprop-2-enoyl]piperidin-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;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;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide;N-[3-[6-[4-(morpholine-4-carbonyl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]prop-2-enamide

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;6-amino-9-[(3R)-1-[(Z)-3-cyclopropyl-2-isocyanoprop-2-enoyl]piperidin-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;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;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide;N-[3-[6-[4-(morpholine-4-carbonyl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]prop-2-enamide (PubChem CID 158469337) has the molecular formula C212H206ClFN50O21 and a molecular weight of 3844.76 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;6-amino-9-[(3R)-1-[(Z)-3-cyclopropyl-2-isocyanoprop-2-enoyl]piperidin-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;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;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide;N-[3-[6-[4-(morpholine-4-carbonyl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]prop-2-enamide.

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;6-amino-9-[(3R)-1-[(Z)-3-cyclopropyl-2-isocyanoprop-2-enoyl]piperidin-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;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;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide;N-[3-[6-[4-(morpholine-4-carbonyl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]prop-2-enamide
PubChem CID158469337
Molecular FormulaC212H206ClFN50O21
Molecular Weight3844.76 g/mol
Exact Mass3841.63
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;6-amino-9-[(3R)-1-[(Z)-3-cyclopropyl-2-isocyanoprop-2-enoyl]piperidin-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;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;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide;N-[3-[6-[4-(morpholine-4-carbonyl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)CCC(=O)Nc1cccc(Nc2ncc(CC(=O)c3cc(NC(=O)c4cccc(C)c4)ccc3C)cn2)c1.C=CC(=O)Nc1cccc(-c2nc(Nc3ccc(C(=O)N4CCOCC4)cc3)nc3[nH]ncc23)c1.C=CC(=O)Nc1cccc(-c2nc(Nc3ccc(C(=O)N4CCOCC4)cc3)ncc2Cl)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.Cc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCCN4C(=O)/C=C/CN(C)C)n4ccnc(N)c34)cc2)c1.N#CN1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)c2N)C1.[C-]#[N+]/C(=C\C1CC1)C(=O)N1CCC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
InChIInChI=1S/C33H31N5O4.C30H34N8O2.C29H27N7O3.C25H23N7O3.C25H22N6O3.C24H22ClN5O3.C24H25FN6O.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;1-20-13-14-32-24(19-20)34-30(40)22-11-9-21(10-12-22)26-27-28(31)33-15-18-38(27)29(35-26)23-7-4-5-17-37(23)25(39)8-6-16-36(2)3;1-31-24(16-19-9-10-19)28(37)34-15-5-6-21(17-34)36-27-25(26(30)32-18-33-27)35(29(36)38)20-11-13-23(14-12-20)39-22-7-3-2-4-8-22;1-2-21(33)27-19-5-3-4-17(14-19)22-20-15-26-31-23(20)30-25(29-22)28-18-8-6-16(7-9-18)24(34)32-10-12-35-13-11-32;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;1-2-21(31)27-19-5-3-4-17(14-19)22-20(25)15-26-24(29-22)28-18-8-6-16(7-9-18)23(32)30-10-12-33-13-11-30;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;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);6,8-15,18-19,23H,4-5,7,16-17H2,1-3H3,(H2,31,33)(H,32,34,40);2-4,7-8,11-14,16,18-19,21H,5-6,9-10,15,17H2,(H2,30,32,33);2-9,14-15H,1,10-13H2,(H,27,33)(H2,26,28,29,30,31);3-5,7-12,16,18H,13-15H2,1H3,(H2,26,27,28);2-9,14-15H,1,10-13H2,(H,27,31)(H,26,28,29);5-10,12-15H,11H2,1-4H3,(H,27,28);1-3,6-11,16H,4-5,12-13,24H2,(H2,25,29)/b;8-6+;24-16-;;;;10-7+;/t;23-;21-;;18-;;;16-/m.01.1..1/s1
InChIKeyHGDRHZMJBVSEBC-OQOJFHITSA-N
XLogP31.97
TPSA883.34 Ų
H-Bond Donors15
H-Bond Acceptors57
Rotatable Bonds52
Heavy Atoms285
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003844.76
LogP ≤ 531.97
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1057

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;6-amino-9-[(3R)-1-[(Z)-3-cyclopropyl-2-isocyanoprop-2-enoyl]piperidin-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;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;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide;N-[3-[6-[4-(morpholine-4-carbonyl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]prop-2-enamide with MolForge

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Related Compounds

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
CID 160448192
CID 160448192
6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;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;[4-[[4-[3-(buta-1,3-dien-2-ylamino)phenyl]-5-chloropyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;[4-[[4-[3-(buta-1,3-dien-2-ylamino)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]-morpholin-4-ylmethanone;(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;N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]-3-(trifluoromethyl)benzamide
CID 160785387
CID 165016796
CID 165016796
CID 167647709
CID 167647709
5-[2-tert-butyl-5-(4-fluorophenyl)-3H-pyrrol-4-yl]-3-(2,2-dimethylpropyl)-2-methylimidazo[4,5-b]pyridine;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;2-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-(2,2-dimethylpropyl)pyridine-3-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 157323061
1-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanone;N-cyclopropyl-4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]benzamide;bis(2-[2-(2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone);1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-[(1-methylcyclobutyl)methoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanone;1-(5-methyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanone
CID 157595754
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;4-[4-amino-1-[(2R)-1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-2-yl]triazolo[1,5-a]pyrazin-8-ium-3-yl]-N-(4-methyl-2-pyridinyl)benzamide;(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;[4-[[4-[3-(buta-1,3-dien-2-ylamino)phenyl]-5-chloropyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;[4-[[4-[3-(buta-1,3-dien-2-ylamino)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]-morpholin-4-ylmethanone;(E)-4-(dimethylamino)-N-[7-fluoro-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide
CID 158020313
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-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 158294266
1-[3-[4-amino-6-chloro-5-[4-(3,4-dichlorophenoxy)-3-methylphenyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]prop-2-en-1-one;4-[8-amino-3-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide;1-[(3R)-3-[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;3-tert-butyl-N-[4-methyl-5-oxo-6-[3-(prop-2-enoylamino)anilino]pyrazin-2-yl]benzamide;N-[3-[5-chloro-2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-methyl-N-[7-methyl-4-(2-methylphenyl)imino-2,3,3a,5-tetrahydro-1H-imidazo[1,5-a]quinoxalin-8-yl]but-2-enamide;N-[3-[[6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]prop-2-enamide;N-[3-[6-[4-(morpholine-4-carbonyl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]prop-2-enamide
CID 158330363
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;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;(Z)-1-[(3R)-3-[6-amino-7-(4-phenoxyphenyl)purin-9-ium-9-yl]piperidin-1-yl]-3-cyclopropyl-2-isocyanoprop-2-en-1-one;[4-[[4-[3-(buta-1,3-dien-2-ylamino)phenyl]-5-chloropyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;[4-[[4-[3-(buta-1,3-dien-2-ylamino)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]-morpholin-4-ylmethanone;(E)-4-(dimethylamino)-N-[7-fluoro-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide
CID 158418940
2-amino-1-[(3R)-1-cyanopiperidin-3-yl]-4-(4-phenoxyphenyl)pyrrole-3-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;[4-[[4-[3-(buta-1,3-dien-2-ylamino)phenyl]-5-chloropyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;[4-[[4-[3-(buta-1,3-dien-2-ylamino)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]-morpholin-4-ylmethanone;(E)-4-(dimethylamino)-N-[7-fluoro-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide;methane;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide
CID 158736481

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;6-amino-9-[(3R)-1-[(Z)-3-cyclopropyl-2-isocyanoprop-2-enoyl]piperidin-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;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;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide;N-[3-[6-[4-(morpholine-4-carbonyl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]prop-2-enamide?
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;6-amino-9-[(3R)-1-[(Z)-3-cyclopropyl-2-isocyanoprop-2-enoyl]piperidin-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;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;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide;N-[3-[6-[4-(morpholine-4-carbonyl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]prop-2-enamide (CID 158469337) 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;6-amino-9-[(3R)-1-[(Z)-3-cyclopropyl-2-isocyanoprop-2-enoyl]piperidin-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;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;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide;N-[3-[6-[4-(morpholine-4-carbonyl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]prop-2-enamide.
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;6-amino-9-[(3R)-1-[(Z)-3-cyclopropyl-2-isocyanoprop-2-enoyl]piperidin-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;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;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide;N-[3-[6-[4-(morpholine-4-carbonyl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]prop-2-enamide?
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;6-amino-9-[(3R)-1-[(Z)-3-cyclopropyl-2-isocyanoprop-2-enoyl]piperidin-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;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;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide;N-[3-[6-[4-(morpholine-4-carbonyl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]prop-2-enamide is C=CC(=O)CCC(=O)Nc1cccc(Nc2ncc(CC(=O)c3cc(NC(=O)c4cccc(C)c4)ccc3C)cn2)c1.C=CC(=O)Nc1cccc(-c2nc(Nc3ccc(C(=O)N4CCOCC4)cc3)nc3[nH]ncc23)c1.C=CC(=O)Nc1cccc(-c2nc(Nc3ccc(C(=O)N4CCOCC4)cc3)ncc2Cl)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.Cc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCCN4C(=O)/C=C/CN(C)C)n4ccnc(N)c34)cc2)c1.N#CN1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)c2N)C1.[C-]#[N+]/C(=C\C1CC1)C(=O)N1CCC[C@@H](n2c(=O)n(-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;6-amino-9-[(3R)-1-[(Z)-3-cyclopropyl-2-isocyanoprop-2-enoyl]piperidin-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;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;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide;N-[3-[6-[4-(morpholine-4-carbonyl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]prop-2-enamide?
The InChIKey is HGDRHZMJBVSEBC-OQOJFHITSA-N. The full InChI is InChI=1S/C33H31N5O4.C30H34N8O2.C29H27N7O3.C25H23N7O3.C25H22N6O3.C24H22ClN5O3.C24H25FN6O.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;1-20-13-14-32-24(19-20)34-30(40)22-11-9-21(10-12-22)26-27-28(31)33-15-18-38(27)29(35-26)23-7-4-5-17-37(23)25(39)8-6-16-36(2)3;1-31-24(16-19-9-10-19)28(37)34-15-5-6-21(17-34)36-27-25(26(30)32-18-33-27)35(29(36)38)20-11-13-23(14-12-20)39-22-7-3-2-4-8-22;1-2-21(33)27-19-5-3-4-17(14-19)22-20-15-26-31-23(20)30-25(29-22)28-18-8-6-16(7-9-18)24(34)32-10-12-35-13-11-32;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;1-2-21(31)27-19-5-3-4-17(14-19)22-20(25)15-26-24(29-22)28-18-8-6-16(7-9-18)23(32)30-10-12-33-13-11-30;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;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);6,8-15,18-19,23H,4-5,7,16-17H2,1-3H3,(H2,31,33)(H,32,34,40);2-4,7-8,11-14,16,18-19,21H,5-6,9-10,15,17H2,(H2,30,32,33);2-9,14-15H,1,10-13H2,(H,27,33)(H2,26,28,29,30,31);3-5,7-12,16,18H,13-15H2,1H3,(H2,26,27,28);2-9,14-15H,1,10-13H2,(H,27,31)(H,26,28,29);5-10,12-15H,11H2,1-4H3,(H,27,28);1-3,6-11,16H,4-5,12-13,24H2,(H2,25,29)/b;8-6+;24-16-;;;;10-7+;/t;23-;21-;;18-;;;16-/m.01.1..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;6-amino-9-[(3R)-1-[(Z)-3-cyclopropyl-2-isocyanoprop-2-enoyl]piperidin-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;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;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide;N-[3-[6-[4-(morpholine-4-carbonyl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]prop-2-enamide?
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;6-amino-9-[(3R)-1-[(Z)-3-cyclopropyl-2-isocyanoprop-2-enoyl]piperidin-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;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;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide;N-[3-[6-[4-(morpholine-4-carbonyl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]prop-2-enamide has a molecular weight of 3844.76 g/mol, XLogP of 31.97, 52 rotatable bonds, 15 hydrogen bond donors, and 57 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;6-amino-9-[(3R)-1-[(Z)-3-cyclopropyl-2-isocyanoprop-2-enoyl]piperidin-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;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;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide;N-[3-[6-[4-(morpholine-4-carbonyl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 158469337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).