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

C156H144F24N30O7 — CID 160676598

IUPAC6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-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-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCC1=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)cc4)c3F)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)c3F)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(CN5CCN(C)CC5)cc4)c3F)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(CN5CCNCC5)cc4)c3F)cc(F)c2C1.CCN1CCN(Cc2ccc(Nc3ncnc(Oc4cc(F)c5c(c4F)C=C(C)C5)c3F)cc2)CC1
InChIInChI=1S/C27H25F6N5O.C27H28F3N5O.C26H24F3N5O2.C26H26F3N5O.C25H17F6N5O.C25H24F3N5O/c1-15-9-18-19(10-15)23(29)22(12-21(18)28)39-26-24(30)25(34-14-35-26)36-17-4-3-16(20(11-17)27(31,32)33)13-38-7-5-37(2)6-8-38;1-3-34-8-10-35(11-9-34)15-18-4-6-19(7-5-18)33-26-25(30)27(32-16-31-26)36-23-14-22(28)20-12-17(2)13-21(20)24(23)29;1-15-11-18-19(12-15)22(28)21(13-20(18)27)36-25-23(29)24(30-14-31-25)32-17-5-3-16(4-6-17)26(35)34-9-7-33(2)8-10-34;1-16-11-19-20(12-16)23(28)22(13-21(19)27)35-26-24(29)25(30-15-31-26)32-18-5-3-17(4-6-18)14-34-9-7-33(2)8-10-34;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;1-15-10-18-19(11-15)22(27)21(12-20(18)26)34-25-23(28)24(30-14-31-25)32-17-4-2-16(3-5-17)13-33-8-6-29-7-9-33/h3-4,10-12,14H,5-9,13H2,1-2H3,(H,34,35,36);4-7,13-14,16H,3,8-12,15H2,1-2H3,(H,31,32,33);3-6,12-14H,7-11H2,1-2H3,(H,30,31,32);3-6,12-13,15H,7-11,14H2,1-2H3,(H,30,31,32);4-11H,3H2,1-2H3,(H,32,33,35);2-5,11-12,14,29H,6-10,13H2,1H3,(H,30,31,32)
InChIKeyRNPLSFFJMXUTSQ-UHFFFAOYSA-N
MW3007.02 g/mol
LogP33.29
Rot. Bonds35

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

6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-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-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 160676598) has the molecular formula C156H144F24N30O7 and a molecular weight of 3007.02 g/mol. Its IUPAC name is 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-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-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-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-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID160676598
Molecular FormulaC156H144F24N30O7
Molecular Weight3007.02 g/mol
Exact Mass3005.15
IUPAC Name6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-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-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCC1=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)cc4)c3F)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)c3F)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(CN5CCN(C)CC5)cc4)c3F)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(CN5CCNCC5)cc4)c3F)cc(F)c2C1.CCN1CCN(Cc2ccc(Nc3ncnc(Oc4cc(F)c5c(c4F)C=C(C)C5)c3F)cc2)CC1
InChIInChI=1S/C27H25F6N5O.C27H28F3N5O.C26H24F3N5O2.C26H26F3N5O.C25H17F6N5O.C25H24F3N5O/c1-15-9-18-19(10-15)23(29)22(12-21(18)28)39-26-24(30)25(34-14-35-26)36-17-4-3-16(20(11-17)27(31,32)33)13-38-7-5-37(2)6-8-38;1-3-34-8-10-35(11-9-34)15-18-4-6-19(7-5-18)33-26-25(30)27(32-16-31-26)36-23-14-22(28)20-12-17(2)13-21(20)24(23)29;1-15-11-18-19(12-15)22(28)21(13-20(18)27)36-25-23(29)24(30-14-31-25)32-17-5-3-16(4-6-17)26(35)34-9-7-33(2)8-10-34;1-16-11-19-20(12-16)23(28)22(13-21(19)27)35-26-24(29)25(30-15-31-26)32-18-5-3-17(4-6-18)14-34-9-7-33(2)8-10-34;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;1-15-10-18-19(11-15)22(27)21(12-20(18)26)34-25-23(28)24(30-14-31-25)32-17-4-2-16(3-5-17)13-33-8-6-29-7-9-33/h3-4,10-12,14H,5-9,13H2,1-2H3,(H,34,35,36);4-7,13-14,16H,3,8-12,15H2,1-2H3,(H,31,32,33);3-6,12-14H,7-11H2,1-2H3,(H,30,31,32);3-6,12-13,15H,7-11,14H2,1-2H3,(H,30,31,32);4-11H,3H2,1-2H3,(H,32,33,35);2-5,11-12,14,29H,6-10,13H2,1H3,(H,30,31,32)
InChIKeyRNPLSFFJMXUTSQ-UHFFFAOYSA-N
XLogP33.29
TPSA358.32 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds35
Heavy Atoms217
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003007.02
LogP ≤ 533.29
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-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-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-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-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone (CID 160676598) is 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-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-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-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-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-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-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]-(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)cc4)c3F)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)c3F)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(CN5CCN(C)CC5)cc4)c3F)cc(F)c2C1.CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(CN5CCNCC5)cc4)c3F)cc(F)c2C1.CCN1CCN(Cc2ccc(Nc3ncnc(Oc4cc(F)c5c(c4F)C=C(C)C5)c3F)cc2)CC1.
What is the InChIKey of 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-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-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is RNPLSFFJMXUTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F6N5O.C27H28F3N5O.C26H24F3N5O2.C26H26F3N5O.C25H17F6N5O.C25H24F3N5O/c1-15-9-18-19(10-15)23(29)22(12-21(18)28)39-26-24(30)25(34-14-35-26)36-17-4-3-16(20(11-17)27(31,32)33)13-38-7-5-37(2)6-8-38;1-3-34-8-10-35(11-9-34)15-18-4-6-19(7-5-18)33-26-25(30)27(32-16-31-26)36-23-14-22(28)20-12-17(2)13-21(20)24(23)29;1-15-11-18-19(12-15)22(28)21(13-20(18)27)36-25-23(29)24(30-14-31-25)32-17-5-3-16(4-6-17)26(35)34-9-7-33(2)8-10-34;1-16-11-19-20(12-16)23(28)22(13-21(19)27)35-26-24(29)25(30-15-31-26)32-18-5-3-17(4-6-18)14-34-9-7-33(2)8-10-34;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;1-15-10-18-19(11-15)22(27)21(12-20(18)26)34-25-23(28)24(30-14-31-25)32-17-4-2-16(3-5-17)13-33-8-6-29-7-9-33/h3-4,10-12,14H,5-9,13H2,1-2H3,(H,34,35,36);4-7,13-14,16H,3,8-12,15H2,1-2H3,(H,31,32,33);3-6,12-14H,7-11H2,1-2H3,(H,30,31,32);3-6,12-13,15H,7-11,14H2,1-2H3,(H,30,31,32);4-11H,3H2,1-2H3,(H,32,33,35);2-5,11-12,14,29H,6-10,13H2,1H3,(H,30,31,32).
What are the key properties of 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-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-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone?
6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-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-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 3007.02 g/mol, XLogP of 33.29, 35 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-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-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 160676598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).