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

C135H123F11N30O6 — CID 159091723

IUPACN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILES[C-]#[N+]c1c(Nc2cc(-n3cnc(C)c3)cc(C(F)(F)F)c2)ncnc1Oc1ccc2c(c1F)C=C(C)C2.[C-]#[N+]c1c(Nc2ccc(C(=O)N3CCN(C)CC3)cc2)ncnc1Oc1ccc2c(c1F)C=C(C)C2.[C-]#[N+]c1c(Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)ncnc1Oc1ccc2c(c1F)C=C(C)C2.[C-]#[N+]c1c(Nc2ccc(CN3CCN(CC)CC3)cc2)ncnc1Oc1ccc2c(c1F)C=C(C)C2.[C-]#[N+]c1c(Nc2ccc(CN3CCNCC3)cc2)ncnc1Oc1ccc2c(c1F)C=C(C)C2
InChIInChI=1S/C28H26F4N6O.C28H29FN6O.C27H25FN6O2.C26H18F4N6O.C26H25FN6O/c1-17-12-18-5-7-23(24(29)21(18)13-17)39-27-25(33-2)26(34-16-35-27)36-20-6-4-19(22(14-20)28(30,31)32)15-38-10-8-37(3)9-11-38;1-4-34-11-13-35(14-12-34)17-20-5-8-22(9-6-20)33-27-26(30-3)28(32-18-31-27)36-24-10-7-21-15-19(2)16-23(21)25(24)29;1-17-14-19-6-9-22(23(28)21(19)15-17)36-26-24(29-2)25(30-16-31-26)32-20-7-4-18(5-8-20)27(35)34-12-10-33(3)11-13-34;1-14-6-16-4-5-21(22(27)20(16)7-14)37-25-23(31-3)24(32-12-33-25)35-18-8-17(26(28,29)30)9-19(10-18)36-11-15(2)34-13-36;1-17-13-19-5-8-22(23(27)21(19)14-17)34-26-24(28-2)25(30-16-31-26)32-20-6-3-18(4-7-20)15-33-11-9-29-10-12-33/h4-7,13-14,16H,8-12,15H2,1,3H3,(H,34,35,36);5-10,16,18H,4,11-15,17H2,1-2H3,(H,31,32,33);4-9,15-16H,10-14H2,1,3H3,(H,30,31,32);4-5,7-13H,6H2,1-2H3,(H,32,33,35);3-8,14,16,29H,9-13,15H2,1H3,(H,30,31,32)
InChIKeyKCDNSDCLQMTWRY-UHFFFAOYSA-N
MW2470.65 g/mol
LogP29.52
Rot. Bonds29

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

N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 159091723) has the molecular formula C135H123F11N30O6 and a molecular weight of 2470.65 g/mol. Its IUPAC name is N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound NameN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID159091723
Molecular FormulaC135H123F11N30O6
Molecular Weight2470.65 g/mol
Exact Mass2469.01
IUPAC NameN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILES[C-]#[N+]c1c(Nc2cc(-n3cnc(C)c3)cc(C(F)(F)F)c2)ncnc1Oc1ccc2c(c1F)C=C(C)C2.[C-]#[N+]c1c(Nc2ccc(C(=O)N3CCN(C)CC3)cc2)ncnc1Oc1ccc2c(c1F)C=C(C)C2.[C-]#[N+]c1c(Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)ncnc1Oc1ccc2c(c1F)C=C(C)C2.[C-]#[N+]c1c(Nc2ccc(CN3CCN(CC)CC3)cc2)ncnc1Oc1ccc2c(c1F)C=C(C)C2.[C-]#[N+]c1c(Nc2ccc(CN3CCNCC3)cc2)ncnc1Oc1ccc2c(c1F)C=C(C)C2
InChIInChI=1S/C28H26F4N6O.C28H29FN6O.C27H25FN6O2.C26H18F4N6O.C26H25FN6O/c1-17-12-18-5-7-23(24(29)21(18)13-17)39-27-25(33-2)26(34-16-35-27)36-20-6-4-19(22(14-20)28(30,31)32)15-38-10-8-37(3)9-11-38;1-4-34-11-13-35(14-12-34)17-20-5-8-22(9-6-20)33-27-26(30-3)28(32-18-31-27)36-24-10-7-21-15-19(2)16-23(21)25(24)29;1-17-14-19-6-9-22(23(28)21(19)15-17)36-26-24(29-2)25(30-16-31-26)32-20-7-4-18(5-8-20)27(35)34-12-10-33(3)11-13-34;1-14-6-16-4-5-21(22(27)20(16)7-14)37-25-23(31-3)24(32-12-33-25)35-18-8-17(26(28,29)30)9-19(10-18)36-11-15(2)34-13-36;1-17-13-19-5-8-22(23(27)21(19)14-17)34-26-24(28-2)25(30-16-31-26)32-20-6-3-18(4-7-20)15-33-11-9-29-10-12-33/h4-7,13-14,16H,8-12,15H2,1,3H3,(H,34,35,36);5-10,16,18H,4,11-15,17H2,1-2H3,(H,31,32,33);4-9,15-16H,10-14H2,1,3H3,(H,30,31,32);4-5,7-13H,6H2,1-2H3,(H,32,33,35);3-8,14,16,29H,9-13,15H2,1H3,(H,30,31,32)
InChIKeyKCDNSDCLQMTWRY-UHFFFAOYSA-N
XLogP29.52
TPSA326.60 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds29
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002470.65
LogP ≤ 529.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone (CID 159091723) is N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone is [C-]#[N+]c1c(Nc2cc(-n3cnc(C)c3)cc(C(F)(F)F)c2)ncnc1Oc1ccc2c(c1F)C=C(C)C2.[C-]#[N+]c1c(Nc2ccc(C(=O)N3CCN(C)CC3)cc2)ncnc1Oc1ccc2c(c1F)C=C(C)C2.[C-]#[N+]c1c(Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)ncnc1Oc1ccc2c(c1F)C=C(C)C2.[C-]#[N+]c1c(Nc2ccc(CN3CCN(CC)CC3)cc2)ncnc1Oc1ccc2c(c1F)C=C(C)C2.[C-]#[N+]c1c(Nc2ccc(CN3CCNCC3)cc2)ncnc1Oc1ccc2c(c1F)C=C(C)C2.
What is the InChIKey of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is KCDNSDCLQMTWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F4N6O.C28H29FN6O.C27H25FN6O2.C26H18F4N6O.C26H25FN6O/c1-17-12-18-5-7-23(24(29)21(18)13-17)39-27-25(33-2)26(34-16-35-27)36-20-6-4-19(22(14-20)28(30,31)32)15-38-10-8-37(3)9-11-38;1-4-34-11-13-35(14-12-34)17-20-5-8-22(9-6-20)33-27-26(30-3)28(32-18-31-27)36-24-10-7-21-15-19(2)16-23(21)25(24)29;1-17-14-19-6-9-22(23(28)21(19)15-17)36-26-24(29-2)25(30-16-31-26)32-20-7-4-18(5-8-20)27(35)34-12-10-33(3)11-13-34;1-14-6-16-4-5-21(22(27)20(16)7-14)37-25-23(31-3)24(32-12-33-25)35-18-8-17(26(28,29)30)9-19(10-18)36-11-15(2)34-13-36;1-17-13-19-5-8-22(23(27)21(19)14-17)34-26-24(28-2)25(30-16-31-26)32-20-6-3-18(4-7-20)15-33-11-9-29-10-12-33/h4-7,13-14,16H,8-12,15H2,1,3H3,(H,34,35,36);5-10,16,18H,4,11-15,17H2,1-2H3,(H,31,32,33);4-9,15-16H,10-14H2,1,3H3,(H,30,31,32);4-5,7-13H,6H2,1-2H3,(H,32,33,35);3-8,14,16,29H,9-13,15H2,1H3,(H,30,31,32).
What are the key properties of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone?
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 2470.65 g/mol, XLogP of 29.52, 29 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 159091723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).