1-[6-[[5-acetyl-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;2-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-(1H-isoindol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide

C173H147F7N48O15 — CID 158374310

About 1-[6-[[5-acetyl-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;2-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-(1H-isoindol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide

1-[6-[[5-acetyl-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;2-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-(1H-isoindol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide (PubChem CID 158374310) has the molecular formula C173H147F7N48O15 and a molecular weight of 3271.39 g/mol. Its IUPAC name is 1-[6-[[5-acetyl-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;2-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-(1H-isoindol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: 1-[6-[[5-acetyl-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;2-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-(1H-isoindol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
• PubChem CID: 158374310
• Molecular Formula: C173H147F7N48O15
• Molecular Weight: 3271.39 g/mol
• Exact Mass: 3269.21
• IUPAC Name: 1-[6-[[5-acetyl-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;2-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-(1H-isoindol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
• SMILES: C=C(C#N)C(O)c1ccc(Nc2nc(Nc3ccccc3)ncc2F)cc1.C=C(C#N)C(O)c1cccc(Nc2nc(Nc3cccc(OC(F)(F)F)c3)ncc2F)c1.C=CC(=O)N1CCOc2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)ncc3C(C)=O)cc21.C=CC(=O)N1CCOc2ccc(Nc3nc(Nc4ccc5c(cnn5C)c4)ncc3C(C)=O)cc21.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc4c(c3)C=NC4)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc4c(cnn4C)c3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3cccc(OC)c3)ncc2OC)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C#N)c1
• InChI: InChI=1S/C25H23N7O3.C24H21N7O3.C21H15F4N5O2.C21H18FN7O.C21H17FN6O.C21H21N5O3.C20H16FN5O.C20H16N6O/c1-4-23(34)32-9-10-35-22-8-6-18(12-21(22)32)28-24-19(15(2)33)14-26-25(30-24)29-17-5-7-20-16(11-17)13-27-31(20)3;1-3-22(33)31-8-9-34-21-7-5-17(11-20(21)31)27-23-18(14(2)32)13-25-24(29-23)28-16-4-6-19-15(10-16)12-26-30-19;1-12(10-26)18(31)13-4-2-5-14(8-13)28-19-17(22)11-27-20(30-19)29-15-6-3-7-16(9-15)32-21(23,24)25;1-3-19(30)25-14-5-4-6-15(10-14)26-20-17(22)12-23-21(28-20)27-16-7-8-18-13(9-16)11-24-29(18)2;1-2-19(29)25-15-4-3-5-16(9-15)26-20-18(22)12-24-21(28-20)27-17-7-6-13-10-23-11-14(13)8-17;1-4-19(27)23-14-7-5-8-15(11-14)24-20-18(29-3)13-22-21(26-20)25-16-9-6-10-17(12-16)28-2;1-13(11-22)18(27)14-7-9-16(10-8-14)24-19-17(21)12-23-20(26-19)25-15-5-3-2-4-6-15;1-2-18(27)23-16-9-6-10-17(11-16)24-19-14(12-21)13-22-20(26-19)25-15-7-4-3-5-8-15/h4-8,11-14H,1,9-10H2,2-3H3,(H2,26,28,29,30);3-7,10-13H,1,8-9H2,2H3,(H,26,30)(H2,25,27,28,29);2-9,11,18,31H,1H2,(H2,27,28,29,30);3-12H,1H2,2H3,(H,25,30)(H2,23,26,27,28);2-9,11-12H,1,10H2,(H,25,29)(H2,24,26,27,28);4-13H,1H2,2-3H3,(H,23,27)(H2,22,24,25,26);2-10,12,18,27H,1H2,(H2,23,24,25,26);2-11,13H,1H2,(H,23,27)(H2,22,24,25,26)
• InChIKey: GUZUMJUJNNTSKB-UHFFFAOYSA-N
• XLogP: 33.59
• TPSA: 824.54 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 56
• Rotatable Bonds: 51
• Heavy Atoms: 243
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3271.39
LogP ≤ 5	33.59
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[5-acetyl-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;2-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-(1H-isoindol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

The IUPAC name of 1-[6-[[5-acetyl-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;2-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-(1H-isoindol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide (CID 158374310) is 1-[6-[[5-acetyl-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;2-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-(1H-isoindol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide.

What is the SMILES notation for 1-[6-[[5-acetyl-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;2-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-(1H-isoindol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

The canonical SMILES for 1-[6-[[5-acetyl-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;2-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-(1H-isoindol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide is C=C(C#N)C(O)c1ccc(Nc2nc(Nc3ccccc3)ncc2F)cc1.C=C(C#N)C(O)c1cccc(Nc2nc(Nc3cccc(OC(F)(F)F)c3)ncc2F)c1.C=CC(=O)N1CCOc2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)ncc3C(C)=O)cc21.C=CC(=O)N1CCOc2ccc(Nc3nc(Nc4ccc5c(cnn5C)c4)ncc3C(C)=O)cc21.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc4c(c3)C=NC4)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc4c(cnn4C)c3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3cccc(OC)c3)ncc2OC)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C#N)c1.

What is the InChIKey of 1-[6-[[5-acetyl-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;2-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-(1H-isoindol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

The InChIKey is GUZUMJUJNNTSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O3.C24H21N7O3.C21H15F4N5O2.C21H18FN7O.C21H17FN6O.C21H21N5O3.C20H16FN5O.C20H16N6O/c1-4-23(34)32-9-10-35-22-8-6-18(12-21(22)32)28-24-19(15(2)33)14-26-25(30-24)29-17-5-7-20-16(11-17)13-27-31(20)3;1-3-22(33)31-8-9-34-21-7-5-17(11-20(21)31)27-23-18(14(2)32)13-25-24(29-23)28-16-4-6-19-15(10-16)12-26-30-19;1-12(10-26)18(31)13-4-2-5-14(8-13)28-19-17(22)11-27-20(30-19)29-15-6-3-7-16(9-15)32-21(23,24)25;1-3-19(30)25-14-5-4-6-15(10-14)26-20-17(22)12-23-21(28-20)27-16-7-8-18-13(9-16)11-24-29(18)2;1-2-19(29)25-15-4-3-5-16(9-15)26-20-18(22)12-24-21(28-20)27-17-7-6-13-10-23-11-14(13)8-17;1-4-19(27)23-14-7-5-8-15(11-14)24-20-18(29-3)13-22-21(26-20)25-16-9-6-10-17(12-16)28-2;1-13(11-22)18(27)14-7-9-16(10-8-14)24-19-17(21)12-23-20(26-19)25-15-5-3-2-4-6-15;1-2-18(27)23-16-9-6-10-17(11-16)24-19-14(12-21)13-22-20(26-19)25-15-7-4-3-5-8-15/h4-8,11-14H,1,9-10H2,2-3H3,(H2,26,28,29,30);3-7,10-13H,1,8-9H2,2H3,(H,26,30)(H2,25,27,28,29);2-9,11,18,31H,1H2,(H2,27,28,29,30);3-12H,1H2,2H3,(H,25,30)(H2,23,26,27,28);2-9,11-12H,1,10H2,(H,25,29)(H2,24,26,27,28);4-13H,1H2,2-3H3,(H,23,27)(H2,22,24,25,26);2-10,12,18,27H,1H2,(H2,23,24,25,26);2-11,13H,1H2,(H,23,27)(H2,22,24,25,26).

What are the key properties of 1-[6-[[5-acetyl-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;2-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-(1H-isoindol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

1-[6-[[5-acetyl-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;2-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-(1H-isoindol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide has a molecular weight of 3271.39 g/mol, XLogP of 33.59, 51 rotatable bonds, 23 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[[5-acetyl-2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;2-[[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-(1H-isoindol-5-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-methoxy-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 158374310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).