1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;2-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;6-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-4-methyl-2-[3-[[4-(morpholine-4-carbonyl)phenyl]methyl]anilino]-2H-pyrazin-4-ium-3-one;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide;N-[3-[6-[4-(1,4-dimethyl-3-oxopiperazin-2-yl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;4-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide

C212H212Br2ClF2N40O20S2+ — CID 162244545

About 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;2-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;6-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-4-methyl-2-[3-[[4-(morpholine-4-carbonyl)phenyl]methyl]anilino]-2H-pyrazin-4-ium-3-one;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide;N-[3-[6-[4-(1,4-dimethyl-3-oxopiperazin-2-yl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;4-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide

1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;2-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;6-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-4-methyl-2-[3-[[4-(morpholine-4-carbonyl)phenyl]methyl]anilino]-2H-pyrazin-4-ium-3-one;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide;N-[3-[6-[4-(1,4-dimethyl-3-oxopiperazin-2-yl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;4-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 162244545) has the molecular formula C212H212Br2ClF2N40O20S2+ and a molecular weight of 3937.68 g/mol. Its IUPAC name is 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;2-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;6-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-4-methyl-2-[3-[[4-(morpholine-4-carbonyl)phenyl]methyl]anilino]-2H-pyrazin-4-ium-3-one;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide;N-[3-[6-[4-(1,4-dimethyl-3-oxopiperazin-2-yl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;4-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;2-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;6-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-4-methyl-2-[3-[[4-(morpholine-4-carbonyl)phenyl]methyl]anilino]-2H-pyrazin-4-ium-3-one;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide;N-[3-[6-[4-(1,4-dimethyl-3-oxopiperazin-2-yl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;4-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide
• PubChem CID: 162244545
• Molecular Formula: C212H212Br2ClF2N40O20S2+
• Molecular Weight: 3937.68 g/mol
• Exact Mass: 3932.43
• IUPAC Name: 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;2-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;6-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-4-methyl-2-[3-[[4-(morpholine-4-carbonyl)phenyl]methyl]anilino]-2H-pyrazin-4-ium-3-one;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide;N-[3-[6-[4-(1,4-dimethyl-3-oxopiperazin-2-yl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;4-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide
• SMILES: C/C(O)=C(\C#N)C(=O)Nc1cc(Br)ccc1Br.C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3)ncc2F)c1.CC(C)(C)c1ccc(C(=O)Cc2cccc(-c3cn4ccnc4c(Nc4ccccc4)n3)c2)cc1.Cc1c(CC(=O)c2ccc(C(C)(C)C)cc2)cccc1C1=NC(Nc2cccc(Cc3ccc(C(=O)N4CCOCC4)cc3)c2)C(=O)[N+](C)=C1.Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc(C3C(=O)N(C)CCN3C)cc2)n1.Cc1nc(Cc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
• InChI: InChI=1S/C42H45N4O4.C33H36N6O3S.C30H28N4O.C26H22FN7O3.C25H24N6O2.C23H27ClN6O2S.C22H22FN5O3.C11H8Br2N2O2/c1-28-33(26-38(47)31-16-18-34(19-17-31)42(2,3)4)9-7-11-36(28)37-27-45(5)41(49)39(44-37)43-35-10-6-8-30(25-35)24-29-12-14-32(15-13-29)40(48)46-20-22-50-23-21-46;1-20-24(9-7-10-25(20)36-31(40)28-18-22-8-5-6-11-27(22)43-28)26-19-39(4)33(42)30(35-26)34-23-14-12-21(13-15-23)29-32(41)38(3)17-16-37(29)2;1-30(2,3)24-14-12-22(13-15-24)27(35)19-21-8-7-9-23(18-21)26-20-34-17-16-31-29(34)28(33-26)32-25-10-5-4-6-11-25;1-3-23(35)31-17-5-4-6-18(13-17)32-24-21(27)15-30-26(34-24)33-16-7-9-19(10-8-16)37-20-11-12-29-22(14-20)25(36)28-2;1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19;1-15-4-3-5-18(24)22(15)28-23(32)19-14-25-21(33-19)13-17-12-20(27-16(2)26-17)30-8-6-29(7-9-30)10-11-31;1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2;1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h6-19,25,27,39,43H,20-24,26H2,1-5H3;7,9-10,12-15,18-19,29H,5-6,8,11,16-17H2,1-4H3,(H,34,35)(H,36,40);4-18,20H,19H2,1-3H3,(H,32,33);3-15H,1H2,2H3,(H,28,36)(H,31,35)(H2,30,32,33,34);2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28);3-5,12,14,31H,6-11,13H2,1-2H3,(H,28,32);3-10,13-14H,1,11-12H2,2H3,(H,25,29)(H2,24,26,27,28);2-4,16H,1H3,(H,15,17)/q+1;;;;;;;/b;;;;;;;8-6-
• InChIKey: CJPFRKFKSOIVAN-IGZDLYKCSA-N
• XLogP: 38.17
• TPSA: 744.26 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 52
• Rotatable Bonds: 54
• Heavy Atoms: 279
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3937.68
LogP ≤ 5	38.17
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;2-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;6-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-4-methyl-2-[3-[[4-(morpholine-4-carbonyl)phenyl]methyl]anilino]-2H-pyrazin-4-ium-3-one;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide;N-[3-[6-[4-(1,4-dimethyl-3-oxopiperazin-2-yl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;4-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide?

The IUPAC name of 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;2-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;6-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-4-methyl-2-[3-[[4-(morpholine-4-carbonyl)phenyl]methyl]anilino]-2H-pyrazin-4-ium-3-one;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide;N-[3-[6-[4-(1,4-dimethyl-3-oxopiperazin-2-yl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;4-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide (CID 162244545) is 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;2-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;6-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-4-methyl-2-[3-[[4-(morpholine-4-carbonyl)phenyl]methyl]anilino]-2H-pyrazin-4-ium-3-one;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide;N-[3-[6-[4-(1,4-dimethyl-3-oxopiperazin-2-yl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;4-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;2-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;6-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-4-methyl-2-[3-[[4-(morpholine-4-carbonyl)phenyl]methyl]anilino]-2H-pyrazin-4-ium-3-one;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide;N-[3-[6-[4-(1,4-dimethyl-3-oxopiperazin-2-yl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;4-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide?

The canonical SMILES for 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;2-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;6-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-4-methyl-2-[3-[[4-(morpholine-4-carbonyl)phenyl]methyl]anilino]-2H-pyrazin-4-ium-3-one;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide;N-[3-[6-[4-(1,4-dimethyl-3-oxopiperazin-2-yl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;4-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide is C/C(O)=C(\C#N)C(=O)Nc1cc(Br)ccc1Br.C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3)ncc2F)c1.CC(C)(C)c1ccc(C(=O)Cc2cccc(-c3cn4ccnc4c(Nc4ccccc4)n3)c2)cc1.Cc1c(CC(=O)c2ccc(C(C)(C)C)cc2)cccc1C1=NC(Nc2cccc(Cc3ccc(C(=O)N4CCOCC4)cc3)c2)C(=O)[N+](C)=C1.Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc(C3C(=O)N(C)CCN3C)cc2)n1.Cc1nc(Cc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1.

What is the InChIKey of 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;2-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;6-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-4-methyl-2-[3-[[4-(morpholine-4-carbonyl)phenyl]methyl]anilino]-2H-pyrazin-4-ium-3-one;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide;N-[3-[6-[4-(1,4-dimethyl-3-oxopiperazin-2-yl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;4-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide?

The InChIKey is CJPFRKFKSOIVAN-IGZDLYKCSA-N. The full InChI is InChI=1S/C42H45N4O4.C33H36N6O3S.C30H28N4O.C26H22FN7O3.C25H24N6O2.C23H27ClN6O2S.C22H22FN5O3.C11H8Br2N2O2/c1-28-33(26-38(47)31-16-18-34(19-17-31)42(2,3)4)9-7-11-36(28)37-27-45(5)41(49)39(44-37)43-35-10-6-8-30(25-35)24-29-12-14-32(15-13-29)40(48)46-20-22-50-23-21-46;1-20-24(9-7-10-25(20)36-31(40)28-18-22-8-5-6-11-27(22)43-28)26-19-39(4)33(42)30(35-26)34-23-14-12-21(13-15-23)29-32(41)38(3)17-16-37(29)2;1-30(2,3)24-14-12-22(13-15-24)27(35)19-21-8-7-9-23(18-21)26-20-34-17-16-31-29(34)28(33-26)32-25-10-5-4-6-11-25;1-3-23(35)31-17-5-4-6-18(13-17)32-24-21(27)15-30-26(34-24)33-16-7-9-19(10-8-16)37-20-11-12-29-22(14-20)25(36)28-2;1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19;1-15-4-3-5-18(24)22(15)28-23(32)19-14-25-21(33-19)13-17-12-20(27-16(2)26-17)30-8-6-29(7-9-30)10-11-31;1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2;1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h6-19,25,27,39,43H,20-24,26H2,1-5H3;7,9-10,12-15,18-19,29H,5-6,8,11,16-17H2,1-4H3,(H,34,35)(H,36,40);4-18,20H,19H2,1-3H3,(H,32,33);3-15H,1H2,2H3,(H,28,36)(H,31,35)(H2,30,32,33,34);2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28);3-5,12,14,31H,6-11,13H2,1-2H3,(H,28,32);3-10,13-14H,1,11-12H2,2H3,(H,25,29)(H2,24,26,27,28);2-4,16H,1H3,(H,15,17)/q+1;;;;;;;/b;;;;;;;8-6-.

What are the key properties of 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;2-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;6-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-4-methyl-2-[3-[[4-(morpholine-4-carbonyl)phenyl]methyl]anilino]-2H-pyrazin-4-ium-3-one;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide;N-[3-[6-[4-(1,4-dimethyl-3-oxopiperazin-2-yl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;4-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide?

1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;2-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;6-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-4-methyl-2-[3-[[4-(morpholine-4-carbonyl)phenyl]methyl]anilino]-2H-pyrazin-4-ium-3-one;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide;N-[3-[6-[4-(1,4-dimethyl-3-oxopiperazin-2-yl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;4-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 3937.68 g/mol, XLogP of 38.17, 54 rotatable bonds, 16 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;2-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;6-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-4-methyl-2-[3-[[4-(morpholine-4-carbonyl)phenyl]methyl]anilino]-2H-pyrazin-4-ium-3-one;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide;N-[3-[6-[4-(1,4-dimethyl-3-oxopiperazin-2-yl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;4-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 162244545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).