6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-N-methylbenzamide;1-[4-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]piperazin-1-yl]ethanone;1-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]propan-2-one

C119H103F15N22O9 — CID 158199078

About 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-N-methylbenzamide;1-[4-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]piperazin-1-yl]ethanone;1-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]propan-2-one

6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-N-methylbenzamide;1-[4-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]piperazin-1-yl]ethanone;1-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]propan-2-one (PubChem CID 158199078) has the molecular formula C119H103F15N22O9 and a molecular weight of 2270.25 g/mol. Its IUPAC name is 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-N-methylbenzamide;1-[4-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]piperazin-1-yl]ethanone;1-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]propan-2-one.

Molecular Properties

• Compound Name: 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-N-methylbenzamide;1-[4-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]piperazin-1-yl]ethanone;1-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]propan-2-one
• PubChem CID: 158199078
• Molecular Formula: C119H103F15N22O9
• Molecular Weight: 2270.25 g/mol
• Exact Mass: 2268.80
• IUPAC Name: 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-N-methylbenzamide;1-[4-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]piperazin-1-yl]ethanone;1-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]propan-2-one
• SMILES: CC(=O)Cc1ccc(Nc2ncnc(Oc3cc(F)c4c(c3F)C=C(C)C4)c2F)cc1.CC(=O)N1CCN(c2ccc(Nc3ncnc(Oc4cc(F)c5c(c4F)C=C(C)C5)c3F)cc2)CC1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)nc4)c3F)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCOCC5)cc4)c3F)cc(F)c2C1.CNC(=O)c1ccc(Nc2ncnc(Oc3cc(F)c4c(c3F)C=C(C)C4)c2F)cc1
• InChI: InChI=1S/C26H24F3N5O2.C24H23F3N6O.C24H21F3N4O2.C23H18F3N3O2.C22H17F3N4O2/c1-15-11-19-20(12-15)23(28)22(13-21(19)27)36-26-24(29)25(30-14-31-26)32-17-3-5-18(6-4-17)34-9-7-33(8-10-34)16(2)35;1-14-9-16-17(10-14)21(26)19(11-18(16)25)34-24-22(27)23(29-13-30-24)31-15-3-4-20(28-12-15)33-7-5-32(2)6-8-33;1-14-10-17-18(11-14)21(26)20(12-19(17)25)33-24-22(27)23(28-13-29-24)30-15-2-4-16(5-3-15)31-6-8-32-9-7-31;1-12-7-16-17(8-12)20(25)19(10-18(16)24)31-23-21(26)22(27-11-28-23)29-15-5-3-14(4-6-15)9-13(2)30;1-11-7-14-15(8-11)18(24)17(9-16(14)23)31-22-19(25)20(27-10-28-22)29-13-5-3-12(4-6-13)21(30)26-2/h3-6,12-14H,7-11H2,1-2H3,(H,30,31,32);3-4,10-13H,5-9H2,1-2H3,(H,29,30,31);2-5,11-13H,6-10H2,1H3,(H,28,29,30);3-6,8,10-11H,7,9H2,1-2H3,(H,27,28,29);3-6,8-10H,7H2,1-2H3,(H,26,30)(H,27,28,29)
• InChIKey: GASCCIKLBJRQDB-UHFFFAOYSA-N
• XLogP: 25.09
• TPSA: 336.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 26
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2270.25
LogP ≤ 5	25.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-N-methylbenzamide;1-[4-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]piperazin-1-yl]ethanone;1-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]propan-2-one?

The IUPAC name of 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-N-methylbenzamide;1-[4-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]piperazin-1-yl]ethanone;1-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]propan-2-one (CID 158199078) is 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-N-methylbenzamide;1-[4-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]piperazin-1-yl]ethanone;1-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]propan-2-one.

What is the SMILES notation for 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-N-methylbenzamide;1-[4-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]piperazin-1-yl]ethanone;1-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]propan-2-one?

The canonical SMILES for 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-N-methylbenzamide;1-[4-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]piperazin-1-yl]ethanone;1-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]propan-2-one is CC(=O)Cc1ccc(Nc2ncnc(Oc3cc(F)c4c(c3F)C=C(C)C4)c2F)cc1.CC(=O)N1CCN(c2ccc(Nc3ncnc(Oc4cc(F)c5c(c4F)C=C(C)C5)c3F)cc2)CC1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)nc4)c3F)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCOCC5)cc4)c3F)cc(F)c2C1.CNC(=O)c1ccc(Nc2ncnc(Oc3cc(F)c4c(c3F)C=C(C)C4)c2F)cc1.

What is the InChIKey of 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-N-methylbenzamide;1-[4-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]piperazin-1-yl]ethanone;1-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]propan-2-one?

The InChIKey is GASCCIKLBJRQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O2.C24H23F3N6O.C24H21F3N4O2.C23H18F3N3O2.C22H17F3N4O2/c1-15-11-19-20(12-15)23(28)22(13-21(19)27)36-26-24(29)25(30-14-31-26)32-17-3-5-18(6-4-17)34-9-7-33(8-10-34)16(2)35;1-14-9-16-17(10-14)21(26)19(11-18(16)25)34-24-22(27)23(29-13-30-24)31-15-3-4-20(28-12-15)33-7-5-32(2)6-8-33;1-14-10-17-18(11-14)21(26)20(12-19(17)25)33-24-22(27)23(28-13-29-24)30-15-2-4-16(5-3-15)31-6-8-32-9-7-31;1-12-7-16-17(8-12)20(25)19(10-18(16)24)31-23-21(26)22(27-11-28-23)29-15-5-3-14(4-6-15)9-13(2)30;1-11-7-14-15(8-11)18(24)17(9-16(14)23)31-22-19(25)20(27-10-28-22)29-13-5-3-12(4-6-13)21(30)26-2/h3-6,12-14H,7-11H2,1-2H3,(H,30,31,32);3-4,10-13H,5-9H2,1-2H3,(H,29,30,31);2-5,11-13H,6-10H2,1H3,(H,28,29,30);3-6,8,10-11H,7,9H2,1-2H3,(H,27,28,29);3-6,8-10H,7H2,1-2H3,(H,26,30)(H,27,28,29).

What are the key properties of 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-N-methylbenzamide;1-[4-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]piperazin-1-yl]ethanone;1-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]propan-2-one?

6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-N-methylbenzamide;1-[4-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]piperazin-1-yl]ethanone;1-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]propan-2-one has a molecular weight of 2270.25 g/mol, XLogP of 25.09, 26 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-N-methylbenzamide;1-[4-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]piperazin-1-yl]ethanone;1-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]propan-2-one is sourced from PubChem (CID 158199078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).