4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]propan-1-one;4-fluoro-2-methyl-5-[2-[[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane

C147H148F6N22O18S5 — CID 158895577

About 4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]propan-1-one;4-fluoro-2-methyl-5-[2-[[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane

4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]propan-1-one;4-fluoro-2-methyl-5-[2-[[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane (PubChem CID 158895577) has the molecular formula C147H148F6N22O18S5 and a molecular weight of 2785.26 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]propan-1-one;4-fluoro-2-methyl-5-[2-[[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane.

Molecular Properties

• Compound Name: 4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]propan-1-one;4-fluoro-2-methyl-5-[2-[[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane
• PubChem CID: 158895577
• Molecular Formula: C147H148F6N22O18S5
• Molecular Weight: 2785.26 g/mol
• Exact Mass: 2782.98
• IUPAC Name: 4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]propan-1-one;4-fluoro-2-methyl-5-[2-[[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane
• SMILES: CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(NS(C)(=O)=O)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(OCCCS(C)(=O)=O)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(S(=O)(=O)CCN5CCCC5)c4)n3)c2F)C1.CCC(=O)c1cccc(Cc2nccc(Oc3ccc4[nH]c(C)cc4c3F)n2)c1.Cc1cc2c(F)c(Oc3ccnc(Cc4cccc(OCCCN5CCCCC5)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Oc3ccnc(Cc4cccc(O[C@H]5CCN(S(C)(=O)=O)C5)c4)n3)ccc2[nH]1.S
• InChI: InChI=1S/C28H31FN4O2.C26H27FN4O3S.C25H25FN4O4S.C24H24FN3O4S.C23H20FN3O2.C21H19FN4O3S.H2S/c1-20-17-23-24(31-20)9-10-25(28(23)29)35-27-11-12-30-26(32-27)19-21-7-5-8-22(18-21)34-16-6-15-33-13-3-2-4-14-33;1-18-15-19-7-8-23(25(27)22(19)16-18)34-24-9-10-28-26(30-24)29-20-5-4-6-21(17-20)35(32,33)14-13-31-11-2-3-12-31;1-16-12-20-21(28-16)6-7-22(25(20)26)34-24-8-10-27-23(29-24)14-17-4-3-5-18(13-17)33-19-9-11-30(15-19)35(2,31)32;1-16-13-17-7-8-21(23(25)20(17)14-16)32-22-9-10-26-24(28-22)27-18-5-3-6-19(15-18)31-11-4-12-33(2,29)30;1-3-19(28)16-6-4-5-15(12-16)13-21-25-10-9-22(27-21)29-20-8-7-18-17(23(20)24)11-14(2)26-18;1-13-10-14-6-7-18(20(22)17(14)11-13)29-19-8-9-23-21(25-19)24-15-4-3-5-16(12-15)26-30(2,27)28;/h5,7-12,17-18,31H,2-4,6,13-16,19H2,1H3;4-10,16-17H,2-3,11-15H2,1H3,(H,28,29,30);3-8,10,12-13,19,28H,9,11,14-15H2,1-2H3;3,5-10,14-15H,4,11-13H2,1-2H3,(H,26,27,28);4-12,26H,3,13H2,1-2H3;3-9,11-12,26H,10H2,1-2H3,(H,23,24,25);1H2/t;;19-;;;;/m..0..../s1
• InChIKey: JEUDAGUUHFBHDA-ZIIZTIBPSA-N
• XLogP: 30.13
• TPSA: 496.59 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 45
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2785.26
LogP ≤ 5	30.13
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]propan-1-one;4-fluoro-2-methyl-5-[2-[[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane?

The IUPAC name of 4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]propan-1-one;4-fluoro-2-methyl-5-[2-[[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane (CID 158895577) is 4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]propan-1-one;4-fluoro-2-methyl-5-[2-[[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane.

What is the SMILES notation for 4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]propan-1-one;4-fluoro-2-methyl-5-[2-[[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane?

The canonical SMILES for 4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]propan-1-one;4-fluoro-2-methyl-5-[2-[[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane is CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(NS(C)(=O)=O)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(OCCCS(C)(=O)=O)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(S(=O)(=O)CCN5CCCC5)c4)n3)c2F)C1.CCC(=O)c1cccc(Cc2nccc(Oc3ccc4[nH]c(C)cc4c3F)n2)c1.Cc1cc2c(F)c(Oc3ccnc(Cc4cccc(OCCCN5CCCCC5)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Oc3ccnc(Cc4cccc(O[C@H]5CCN(S(C)(=O)=O)C5)c4)n3)ccc2[nH]1.S.

What is the InChIKey of 4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]propan-1-one;4-fluoro-2-methyl-5-[2-[[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane?

The InChIKey is JEUDAGUUHFBHDA-ZIIZTIBPSA-N. The full InChI is InChI=1S/C28H31FN4O2.C26H27FN4O3S.C25H25FN4O4S.C24H24FN3O4S.C23H20FN3O2.C21H19FN4O3S.H2S/c1-20-17-23-24(31-20)9-10-25(28(23)29)35-27-11-12-30-26(32-27)19-21-7-5-8-22(18-21)34-16-6-15-33-13-3-2-4-14-33;1-18-15-19-7-8-23(25(27)22(19)16-18)34-24-9-10-28-26(30-24)29-20-5-4-6-21(17-20)35(32,33)14-13-31-11-2-3-12-31;1-16-12-20-21(28-16)6-7-22(25(20)26)34-24-8-10-27-23(29-24)14-17-4-3-5-18(13-17)33-19-9-11-30(15-19)35(2,31)32;1-16-13-17-7-8-21(23(25)20(17)14-16)32-22-9-10-26-24(28-22)27-18-5-3-6-19(15-18)31-11-4-12-33(2,29)30;1-3-19(28)16-6-4-5-15(12-16)13-21-25-10-9-22(27-21)29-20-8-7-18-17(23(20)24)11-14(2)26-18;1-13-10-14-6-7-18(20(22)17(14)11-13)29-19-8-9-23-21(25-19)24-15-4-3-5-16(12-15)26-30(2,27)28;/h5,7-12,17-18,31H,2-4,6,13-16,19H2,1H3;4-10,16-17H,2-3,11-15H2,1H3,(H,28,29,30);3-8,10,12-13,19,28H,9,11,14-15H2,1-2H3;3,5-10,14-15H,4,11-13H2,1-2H3,(H,26,27,28);4-12,26H,3,13H2,1-2H3;3-9,11-12,26H,10H2,1-2H3,(H,23,24,25);1H2/t;;19-;;;;/m..0..../s1.

What are the key properties of 4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]propan-1-one;4-fluoro-2-methyl-5-[2-[[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane?

4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]propan-1-one;4-fluoro-2-methyl-5-[2-[[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane has a molecular weight of 2785.26 g/mol, XLogP of 30.13, 45 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]propan-1-one;4-fluoro-2-methyl-5-[2-[[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;4-fluoro-2-methyl-5-[2-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane is sourced from PubChem (CID 158895577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).