N-[3-[[5-fluoro-2-[4-(1-hydroxy-2-methylpropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-(trideuteriomethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide

C135H135F6N33O18S — CID 158229185

About N-[3-[[5-fluoro-2-[4-(1-hydroxy-2-methylpropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-(trideuteriomethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide

N-[3-[[5-fluoro-2-[4-(1-hydroxy-2-methylpropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-(trideuteriomethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide (PubChem CID 158229185) has the molecular formula C135H135F6N33O18S and a molecular weight of 2656.85 g/mol. Its IUPAC name is N-[3-[[5-fluoro-2-[4-(1-hydroxy-2-methylpropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-(trideuteriomethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[3-[[5-fluoro-2-[4-(1-hydroxy-2-methylpropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-(trideuteriomethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
• PubChem CID: 158229185
• Molecular Formula: C135H135F6N33O18S
• Molecular Weight: 2656.85 g/mol
• Exact Mass: 2655.05
• IUPAC Name: N-[3-[[5-fluoro-2-[4-(1-hydroxy-2-methylpropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-(trideuteriomethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
• SMILES: C=CC(=O)N1CCc2ccc(Nc3nc(Nc4ccc(OCCOC)cc4)ncc3F)cc21.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OC(C)(C)CO)cc3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCCS(C)(=O)=O)cc3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCN4CCCC4=O)cc3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)nc3)ncc2F)c1.[2H]C([2H])([2H])Oc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
• InChI: InChI=1S/C25H25FN6O3.C24H24FN5O3.C23H24FN5O4S.C23H24FN5O3.C21H21FN6O3.C19H17FN6O2/c1-2-22(33)28-18-5-3-6-19(15-18)29-24-21(26)16-27-25(31-24)30-17-8-10-20(11-9-17)35-14-13-32-12-4-7-23(32)34;1-3-22(31)30-11-10-16-4-5-18(14-21(16)30)27-23-20(25)15-26-24(29-23)28-17-6-8-19(9-7-17)33-13-12-32-2;1-3-21(30)26-17-6-4-7-18(14-17)27-22-20(24)15-25-23(29-22)28-16-8-10-19(11-9-16)33-12-5-13-34(2,31)32;1-4-20(31)26-16-6-5-7-17(12-16)27-21-19(24)13-25-22(29-21)28-15-8-10-18(11-9-15)32-23(2,3)14-30;1-3-18(29)25-14-5-4-6-15(11-14)26-20-17(22)13-24-21(28-20)27-16-7-8-19(23-12-16)31-10-9-30-2;1-3-16(27)23-12-5-4-6-13(9-12)24-18-15(20)11-22-19(26-18)25-14-7-8-17(28-2)21-10-14/h2-3,5-6,8-11,15-16H,1,4,7,12-14H2,(H,28,33)(H2,27,29,30,31);3-9,14-15H,1,10-13H2,2H3,(H2,26,27,28,29);3-4,6-11,14-15H,1,5,12-13H2,2H3,(H,26,30)(H2,25,27,28,29);4-13,30H,1,14H2,2-3H3,(H,26,31)(H2,25,27,28,29);3-8,11-13H,1,9-10H2,2H3,(H,25,29)(H2,24,26,27,28);3-11H,1H2,2H3,(H,23,27)(H2,22,24,25,26)/i;;;;;2D3
• InChIKey: GEEAZSHTRDJLQM-ZQMIBIDDSA-N
• XLogP: 24.13
• TPSA: 639.15 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 44
• Rotatable Bonds: 57
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2656.85
LogP ≤ 5	24.13
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-fluoro-2-[4-(1-hydroxy-2-methylpropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-(trideuteriomethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

The IUPAC name of N-[3-[[5-fluoro-2-[4-(1-hydroxy-2-methylpropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-(trideuteriomethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide (CID 158229185) is N-[3-[[5-fluoro-2-[4-(1-hydroxy-2-methylpropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-(trideuteriomethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide.

What is the SMILES notation for N-[3-[[5-fluoro-2-[4-(1-hydroxy-2-methylpropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-(trideuteriomethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

The canonical SMILES for N-[3-[[5-fluoro-2-[4-(1-hydroxy-2-methylpropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-(trideuteriomethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide is C=CC(=O)N1CCc2ccc(Nc3nc(Nc4ccc(OCCOC)cc4)ncc3F)cc21.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OC(C)(C)CO)cc3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCCS(C)(=O)=O)cc3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCN4CCCC4=O)cc3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)nc3)ncc2F)c1.[2H]C([2H])([2H])Oc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1.

What is the InChIKey of N-[3-[[5-fluoro-2-[4-(1-hydroxy-2-methylpropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-(trideuteriomethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

The InChIKey is GEEAZSHTRDJLQM-ZQMIBIDDSA-N. The full InChI is InChI=1S/C25H25FN6O3.C24H24FN5O3.C23H24FN5O4S.C23H24FN5O3.C21H21FN6O3.C19H17FN6O2/c1-2-22(33)28-18-5-3-6-19(15-18)29-24-21(26)16-27-25(31-24)30-17-8-10-20(11-9-17)35-14-13-32-12-4-7-23(32)34;1-3-22(31)30-11-10-16-4-5-18(14-21(16)30)27-23-20(25)15-26-24(29-23)28-17-6-8-19(9-7-17)33-13-12-32-2;1-3-21(30)26-17-6-4-7-18(14-17)27-22-20(24)15-25-23(29-22)28-16-8-10-19(11-9-16)33-12-5-13-34(2,31)32;1-4-20(31)26-16-6-5-7-17(12-16)27-21-19(24)13-25-22(29-21)28-15-8-10-18(11-9-15)32-23(2,3)14-30;1-3-18(29)25-14-5-4-6-15(11-14)26-20-17(22)13-24-21(28-20)27-16-7-8-19(23-12-16)31-10-9-30-2;1-3-16(27)23-12-5-4-6-13(9-12)24-18-15(20)11-22-19(26-18)25-14-7-8-17(28-2)21-10-14/h2-3,5-6,8-11,15-16H,1,4,7,12-14H2,(H,28,33)(H2,27,29,30,31);3-9,14-15H,1,10-13H2,2H3,(H2,26,27,28,29);3-4,6-11,14-15H,1,5,12-13H2,2H3,(H,26,30)(H2,25,27,28,29);4-13,30H,1,14H2,2-3H3,(H,26,31)(H2,25,27,28,29);3-8,11-13H,1,9-10H2,2H3,(H,25,29)(H2,24,26,27,28);3-11H,1H2,2H3,(H,23,27)(H2,22,24,25,26)/i;;;;;2D3.

What are the key properties of N-[3-[[5-fluoro-2-[4-(1-hydroxy-2-methylpropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-(trideuteriomethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

N-[3-[[5-fluoro-2-[4-(1-hydroxy-2-methylpropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-(trideuteriomethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide has a molecular weight of 2656.85 g/mol, XLogP of 24.13, 57 rotatable bonds, 18 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[5-fluoro-2-[4-(1-hydroxy-2-methylpropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-(trideuteriomethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 158229185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).