4-[4-[(1R)-1-(tert-butylamino)-2,3-dihydro-1H-inden-4-yl]-3,5-dimethylphenoxy]-2-methylbutan-2-ol;(1R)-N-tert-butyl-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-amine;(1R)-N-tert-butyl-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-amine;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;2-ethoxy-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole;2-ethyl-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole

C135H171F4N11O15S — CID 159710626

About 4-[4-[(1R)-1-(tert-butylamino)-2,3-dihydro-1H-inden-4-yl]-3,5-dimethylphenoxy]-2-methylbutan-2-ol;(1R)-N-tert-butyl-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-amine;(1R)-N-tert-butyl-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-amine;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;2-ethoxy-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole;2-ethyl-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole

4-[4-[(1R)-1-(tert-butylamino)-2,3-dihydro-1H-inden-4-yl]-3,5-dimethylphenoxy]-2-methylbutan-2-ol;(1R)-N-tert-butyl-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-amine;(1R)-N-tert-butyl-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-amine;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;2-ethoxy-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole;2-ethyl-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole (PubChem CID 159710626) has the molecular formula C135H171F4N11O15S and a molecular weight of 2295.97 g/mol. Its IUPAC name is 4-[4-[(1R)-1-(tert-butylamino)-2,3-dihydro-1H-inden-4-yl]-3,5-dimethylphenoxy]-2-methylbutan-2-ol;(1R)-N-tert-butyl-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-amine;(1R)-N-tert-butyl-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-amine;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;2-ethoxy-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole;2-ethyl-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole.

Molecular Properties

• Compound Name: 4-[4-[(1R)-1-(tert-butylamino)-2,3-dihydro-1H-inden-4-yl]-3,5-dimethylphenoxy]-2-methylbutan-2-ol;(1R)-N-tert-butyl-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-amine;(1R)-N-tert-butyl-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-amine;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;2-ethoxy-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole;2-ethyl-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole
• PubChem CID: 159710626
• Molecular Formula: C135H171F4N11O15S
• Molecular Weight: 2295.97 g/mol
• Exact Mass: 2294.26
• IUPAC Name: 4-[4-[(1R)-1-(tert-butylamino)-2,3-dihydro-1H-inden-4-yl]-3,5-dimethylphenoxy]-2-methylbutan-2-ol;(1R)-N-tert-butyl-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-amine;(1R)-N-tert-butyl-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-amine;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;2-ethoxy-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole;2-ethyl-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole
• SMILES: CCOc1nc2ccc(F)c(F)c2n1-c1cccc2c1OC[C@H]2OC(C)(C)C.CCc1nc2ccc(F)c(F)c2n1-c1cccc2c1OC[C@H]2OC(C)(C)C.COc1ccc(Oc2cccc3c2CC[C@H]3NC(C)(C)C)c(C)n1.Cc1cc(OCCC(C)(C)O)cc(C)c1-c1cccc2c1CC[C@H]2NC(C)(C)C.Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc2c1CC[C@H]2NC(C)(C)C.Cc1nc(N2CCOCC2)nc(C)c1-c1cccc2c1OC[C@H]2OC(C)(C)C
• InChI: InChI=1S/C26H37NO2.C25H35NO3S.C22H29N3O3.C21H22F2N2O3.C21H22F2N2O2.C20H26N2O2/c1-17-15-19(29-14-13-26(6,7)28)16-18(2)24(17)22-10-8-9-21-20(22)11-12-23(21)27-25(3,4)5;1-17-15-19(29-13-8-14-30(6,27)28)16-18(2)24(17)22-10-7-9-21-20(22)11-12-23(21)26-25(3,4)5;1-14-19(15(2)24-21(23-14)25-9-11-26-12-10-25)17-8-6-7-16-18(13-27-20(16)17)28-22(3,4)5;1-5-26-20-24-14-10-9-13(22)17(23)18(14)25(20)15-8-6-7-12-16(11-27-19(12)15)28-21(2,3)4;1-5-17-24-14-10-9-13(22)18(23)19(14)25(17)15-8-6-7-12-16(11-26-20(12)15)27-21(2,3)4;1-13-17(11-12-19(21-13)23-5)24-18-8-6-7-14-15(18)9-10-16(14)22-20(2,3)4/h8-10,15-16,23,27-28H,11-14H2,1-7H3;7,9-10,15-16,23,26H,8,11-14H2,1-6H3;6-8,18H,9-13H2,1-5H3;6-10,16H,5,11H2,1-4H3;6-10,16H,5,11H2,1-4H3;6-8,11-12,16,22H,9-10H2,1-5H3/t2*23-;18-;3*16-/m111111/s1
• InChIKey: MYUDZYSPVQNCMU-KXTSNREFSA-N
• XLogP: 29.52
• TPSA: 278.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2295.97
LogP ≤ 5	29.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1R)-1-(tert-butylamino)-2,3-dihydro-1H-inden-4-yl]-3,5-dimethylphenoxy]-2-methylbutan-2-ol;(1R)-N-tert-butyl-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-amine;(1R)-N-tert-butyl-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-amine;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;2-ethoxy-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole;2-ethyl-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole?

The IUPAC name of 4-[4-[(1R)-1-(tert-butylamino)-2,3-dihydro-1H-inden-4-yl]-3,5-dimethylphenoxy]-2-methylbutan-2-ol;(1R)-N-tert-butyl-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-amine;(1R)-N-tert-butyl-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-amine;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;2-ethoxy-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole;2-ethyl-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole (CID 159710626) is 4-[4-[(1R)-1-(tert-butylamino)-2,3-dihydro-1H-inden-4-yl]-3,5-dimethylphenoxy]-2-methylbutan-2-ol;(1R)-N-tert-butyl-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-amine;(1R)-N-tert-butyl-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-amine;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;2-ethoxy-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole;2-ethyl-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole.

What is the SMILES notation for 4-[4-[(1R)-1-(tert-butylamino)-2,3-dihydro-1H-inden-4-yl]-3,5-dimethylphenoxy]-2-methylbutan-2-ol;(1R)-N-tert-butyl-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-amine;(1R)-N-tert-butyl-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-amine;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;2-ethoxy-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole;2-ethyl-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole?

The canonical SMILES for 4-[4-[(1R)-1-(tert-butylamino)-2,3-dihydro-1H-inden-4-yl]-3,5-dimethylphenoxy]-2-methylbutan-2-ol;(1R)-N-tert-butyl-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-amine;(1R)-N-tert-butyl-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-amine;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;2-ethoxy-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole;2-ethyl-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole is CCOc1nc2ccc(F)c(F)c2n1-c1cccc2c1OC[C@H]2OC(C)(C)C.CCc1nc2ccc(F)c(F)c2n1-c1cccc2c1OC[C@H]2OC(C)(C)C.COc1ccc(Oc2cccc3c2CC[C@H]3NC(C)(C)C)c(C)n1.Cc1cc(OCCC(C)(C)O)cc(C)c1-c1cccc2c1CC[C@H]2NC(C)(C)C.Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc2c1CC[C@H]2NC(C)(C)C.Cc1nc(N2CCOCC2)nc(C)c1-c1cccc2c1OC[C@H]2OC(C)(C)C.

What is the InChIKey of 4-[4-[(1R)-1-(tert-butylamino)-2,3-dihydro-1H-inden-4-yl]-3,5-dimethylphenoxy]-2-methylbutan-2-ol;(1R)-N-tert-butyl-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-amine;(1R)-N-tert-butyl-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-amine;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;2-ethoxy-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole;2-ethyl-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole?

The InChIKey is MYUDZYSPVQNCMU-KXTSNREFSA-N. The full InChI is InChI=1S/C26H37NO2.C25H35NO3S.C22H29N3O3.C21H22F2N2O3.C21H22F2N2O2.C20H26N2O2/c1-17-15-19(29-14-13-26(6,7)28)16-18(2)24(17)22-10-8-9-21-20(22)11-12-23(21)27-25(3,4)5;1-17-15-19(29-13-8-14-30(6,27)28)16-18(2)24(17)22-10-7-9-21-20(22)11-12-23(21)26-25(3,4)5;1-14-19(15(2)24-21(23-14)25-9-11-26-12-10-25)17-8-6-7-16-18(13-27-20(16)17)28-22(3,4)5;1-5-26-20-24-14-10-9-13(22)17(23)18(14)25(20)15-8-6-7-12-16(11-27-19(12)15)28-21(2,3)4;1-5-17-24-14-10-9-13(22)18(23)19(14)25(17)15-8-6-7-12-16(11-26-20(12)15)27-21(2,3)4;1-13-17(11-12-19(21-13)23-5)24-18-8-6-7-14-15(18)9-10-16(14)22-20(2,3)4/h8-10,15-16,23,27-28H,11-14H2,1-7H3;7,9-10,15-16,23,26H,8,11-14H2,1-6H3;6-8,18H,9-13H2,1-5H3;6-10,16H,5,11H2,1-4H3;6-10,16H,5,11H2,1-4H3;6-8,11-12,16,22H,9-10H2,1-5H3/t2*23-;18-;3*16-/m111111/s1.

What are the key properties of 4-[4-[(1R)-1-(tert-butylamino)-2,3-dihydro-1H-inden-4-yl]-3,5-dimethylphenoxy]-2-methylbutan-2-ol;(1R)-N-tert-butyl-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-amine;(1R)-N-tert-butyl-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-amine;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;2-ethoxy-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole;2-ethyl-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole?

4-[4-[(1R)-1-(tert-butylamino)-2,3-dihydro-1H-inden-4-yl]-3,5-dimethylphenoxy]-2-methylbutan-2-ol;(1R)-N-tert-butyl-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-amine;(1R)-N-tert-butyl-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-amine;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;2-ethoxy-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole;2-ethyl-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole has a molecular weight of 2295.97 g/mol, XLogP of 29.52, 27 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(1R)-1-(tert-butylamino)-2,3-dihydro-1H-inden-4-yl]-3,5-dimethylphenoxy]-2-methylbutan-2-ol;(1R)-N-tert-butyl-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-amine;(1R)-N-tert-butyl-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-amine;4-[4,6-dimethyl-5-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]pyrimidin-2-yl]morpholine;2-ethoxy-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole;2-ethyl-6,7-difluoro-1-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]benzimidazole is sourced from PubChem (CID 159710626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).