6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-amine;[6-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C125H115F18N29O6 — CID 157246169

About 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-amine;[6-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-amine;[6-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 157246169) has the molecular formula C125H115F18N29O6 and a molecular weight of 2461.46 g/mol. Its IUPAC name is 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-amine;[6-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-amine;[6-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
• PubChem CID: 157246169
• Molecular Formula: C125H115F18N29O6
• Molecular Weight: 2461.46 g/mol
• Exact Mass: 2459.93
• IUPAC Name: 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-amine;[6-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
• SMILES: CC1=Cc2c(F)c(Oc3ncnc(Nc4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)c3F)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(C(=O)N5CCN(C)CC5)cn4)c3F)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(CN5CCN(C)CC5)cn4)c3F)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(CN5CCNCC5)cn4)c3F)cc(F)c2C1.CCN1CCN(Cc2ccc(Nc3ncnc(Oc4cc(F)c5c(c4F)C=C(C)C5)c3F)nc2)CC1
• InChI: InChI=1S/C26H27F3N6O.C25H17F6N5O.C25H23F3N6O2.C25H25F3N6O.C24H23F3N6O/c1-3-34-6-8-35(9-7-34)14-17-4-5-22(30-13-17)33-25-24(29)26(32-15-31-25)36-21-12-20(27)18-10-16(2)11-19(18)23(21)28;1-12-3-17-18(4-12)21(27)20(8-19(17)26)37-24-22(28)23(32-10-33-24)35-15-5-14(25(29,30)31)6-16(7-15)36-9-13(2)34-11-36;1-14-9-16-17(10-14)21(27)19(11-18(16)26)36-24-22(28)23(30-13-31-24)32-20-4-3-15(12-29-20)25(35)34-7-5-33(2)6-8-34;1-15-9-17-18(10-15)22(27)20(11-19(17)26)35-25-23(28)24(30-14-31-25)32-21-4-3-16(12-29-21)13-34-7-5-33(2)6-8-34;1-14-8-16-17(9-14)21(26)19(10-18(16)25)34-24-22(27)23(30-13-31-24)32-20-3-2-15(11-29-20)12-33-6-4-28-5-7-33/h4-5,11-13,15H,3,6-10,14H2,1-2H3,(H,30,31,32,33);4-11H,3H2,1-2H3,(H,32,33,35);3-4,10-13H,5-9H2,1-2H3,(H,29,30,31,32);3-4,10-12,14H,5-9,13H2,1-2H3,(H,29,30,31,32);2-3,9-11,13,28H,4-8,12H2,1H3,(H,29,30,31,32)
• InChIKey: AVUHBXMODQQZSK-UHFFFAOYSA-N
• XLogP: 24.72
• TPSA: 356.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 29
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2461.46
LogP ≤ 5	24.72
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-amine;[6-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?

The IUPAC name of 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-amine;[6-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 157246169) is 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-amine;[6-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

What is the SMILES notation for 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-amine;[6-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?

The canonical SMILES for 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-amine;[6-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is CC1=Cc2c(F)c(Oc3ncnc(Nc4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)c3F)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(C(=O)N5CCN(C)CC5)cn4)c3F)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(CN5CCN(C)CC5)cn4)c3F)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(CN5CCNCC5)cn4)c3F)cc(F)c2C1.CCN1CCN(Cc2ccc(Nc3ncnc(Oc4cc(F)c5c(c4F)C=C(C)C5)c3F)nc2)CC1.

What is the InChIKey of 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-amine;[6-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?

The InChIKey is AVUHBXMODQQZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N6O.C25H17F6N5O.C25H23F3N6O2.C25H25F3N6O.C24H23F3N6O/c1-3-34-6-8-35(9-7-34)14-17-4-5-22(30-13-17)33-25-24(29)26(32-15-31-25)36-21-12-20(27)18-10-16(2)11-19(18)23(21)28;1-12-3-17-18(4-12)21(27)20(8-19(17)26)37-24-22(28)23(32-10-33-24)35-15-5-14(25(29,30)31)6-16(7-15)36-9-13(2)34-11-36;1-14-9-16-17(10-14)21(27)19(11-18(16)26)36-24-22(28)23(30-13-31-24)32-20-4-3-15(12-29-20)25(35)34-7-5-33(2)6-8-34;1-15-9-17-18(10-15)22(27)20(11-19(17)26)35-25-23(28)24(30-14-31-25)32-21-4-3-16(12-29-21)13-34-7-5-33(2)6-8-34;1-14-8-16-17(9-14)21(26)19(10-18(16)25)34-24-22(27)23(30-13-31-24)32-20-3-2-15(11-29-20)12-33-6-4-28-5-7-33/h4-5,11-13,15H,3,6-10,14H2,1-2H3,(H,30,31,32,33);4-11H,3H2,1-2H3,(H,32,33,35);3-4,10-13H,5-9H2,1-2H3,(H,29,30,31,32);3-4,10-12,14H,5-9,13H2,1-2H3,(H,29,30,31,32);2-3,9-11,13,28H,4-8,12H2,1H3,(H,29,30,31,32).

What are the key properties of 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-amine;[6-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?

6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-amine;[6-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 2461.46 g/mol, XLogP of 24.72, 29 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-amine;[6-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 157246169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).