6-bromohexan-1-ol;4-(6-bromohexoxy)-2,6-difluorobenzaldehyde;(1S,3R)-1-[4-(6-bromohexoxy)-2,6-difluorophenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;3-[[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]hexyl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one;2,6-difluoro-4-hydroxybenzaldehyde;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;2-fluoro-N-[(2R)-1-(3H-inden-1-yl)propan-2-yl]-2-methylpropan-1-amine

C130H163Br3F11N11O9 — CID 167629408

About 6-bromohexan-1-ol;4-(6-bromohexoxy)-2,6-difluorobenzaldehyde;(1S,3R)-1-[4-(6-bromohexoxy)-2,6-difluorophenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;3-[[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]hexyl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one;2,6-difluoro-4-hydroxybenzaldehyde;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;2-fluoro-N-[(2R)-1-(3H-inden-1-yl)propan-2-yl]-2-methylpropan-1-amine

6-bromohexan-1-ol;4-(6-bromohexoxy)-2,6-difluorobenzaldehyde;(1S,3R)-1-[4-(6-bromohexoxy)-2,6-difluorophenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;3-[[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]hexyl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one;2,6-difluoro-4-hydroxybenzaldehyde;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;2-fluoro-N-[(2R)-1-(3H-inden-1-yl)propan-2-yl]-2-methylpropan-1-amine (PubChem CID 167629408) has the molecular formula C130H163Br3F11N11O9 and a molecular weight of 2472.49 g/mol. Its IUPAC name is 6-bromohexan-1-ol;4-(6-bromohexoxy)-2,6-difluorobenzaldehyde;(1S,3R)-1-[4-(6-bromohexoxy)-2,6-difluorophenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;3-[[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]hexyl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one;2,6-difluoro-4-hydroxybenzaldehyde;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;2-fluoro-N-[(2R)-1-(3H-inden-1-yl)propan-2-yl]-2-methylpropan-1-amine.

Molecular Properties

• Compound Name: 6-bromohexan-1-ol;4-(6-bromohexoxy)-2,6-difluorobenzaldehyde;(1S,3R)-1-[4-(6-bromohexoxy)-2,6-difluorophenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;3-[[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]hexyl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one;2,6-difluoro-4-hydroxybenzaldehyde;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;2-fluoro-N-[(2R)-1-(3H-inden-1-yl)propan-2-yl]-2-methylpropan-1-amine
• PubChem CID: 167629408
• Molecular Formula: C130H163Br3F11N11O9
• Molecular Weight: 2472.49 g/mol
• Exact Mass: 2468.00
• IUPAC Name: 6-bromohexan-1-ol;4-(6-bromohexoxy)-2,6-difluorobenzaldehyde;(1S,3R)-1-[4-(6-bromohexoxy)-2,6-difluorophenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;3-[[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]hexyl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one;2,6-difluoro-4-hydroxybenzaldehyde;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;2-fluoro-N-[(2R)-1-(3H-inden-1-yl)propan-2-yl]-2-methylpropan-1-amine
• SMILES: CCC1=Cc2ncc(CN3CCN(CCCCCCOc4cc(F)c([C@@H]5c6[nH]c7ccccc7c6C[C@@H](C)N5CC(C)(C)F)c(F)c4)CC3)cc2CC1=O.CCc1cc2ncc(CN3CCNCC3)cc2[nH]c1=O.C[C@@H]1CC2=C(Cc3ccccc32)[C@@H](c2c(F)cc(OCCCCCCBr)cc2F)N1CC(C)(C)F.C[C@H](CC1=CCc2ccccc21)NCC(C)(C)F.O=Cc1c(F)cc(O)cc1F.O=Cc1c(F)cc(OCCCCCCBr)cc1F.OCCCCCCBr
• InChI: InChI=1S/C44H54F3N5O2.C29H35BrF3NO.C16H22FN.C15H20N4O.C13H15BrF2O2.C7H4F2O2.C6H13BrO/c1-5-31-22-39-32(23-40(31)53)21-30(26-48-39)27-51-17-15-50(16-18-51)14-10-6-7-11-19-54-33-24-36(45)41(37(46)25-33)43-42-35(34-12-8-9-13-38(34)49-42)20-29(2)52(43)28-44(3,4)47;1-19-14-23-22-11-7-6-10-20(22)15-24(23)28(34(19)18-29(2,3)33)27-25(31)16-21(17-26(27)32)35-13-9-5-4-8-12-30;1-12(18-11-16(2,3)17)10-14-9-8-13-6-4-5-7-15(13)14;1-2-12-8-13-14(18-15(12)20)7-11(9-17-13)10-19-5-3-16-4-6-19;14-5-3-1-2-4-6-18-10-7-12(15)11(9-17)13(16)8-10;8-6-1-4(11)2-7(9)5(6)3-10;7-5-3-1-2-4-6-8/h8-9,12-13,21-22,24-26,29,43,49H,5-7,10-11,14-20,23,27-28H2,1-4H3;6-7,10-11,16-17,19,28H,4-5,8-9,12-15,18H2,1-3H3;4-7,9,12,18H,8,10-11H2,1-3H3;7-9,16H,2-6,10H2,1H3,(H,18,20);7-9H,1-6H2;1-3,11H;8H,1-6H2/t29-,43-;19-,28+;12-;;;;/m111..../s1
• InChIKey: NOQCKWZXBGVYMY-LKAXLRAWSA-N
• XLogP: 28.95
• TPSA: 234.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 46
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2472.49
LogP ≤ 5	28.95
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromohexan-1-ol;4-(6-bromohexoxy)-2,6-difluorobenzaldehyde;(1S,3R)-1-[4-(6-bromohexoxy)-2,6-difluorophenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;3-[[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]hexyl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one;2,6-difluoro-4-hydroxybenzaldehyde;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;2-fluoro-N-[(2R)-1-(3H-inden-1-yl)propan-2-yl]-2-methylpropan-1-amine?

The IUPAC name of 6-bromohexan-1-ol;4-(6-bromohexoxy)-2,6-difluorobenzaldehyde;(1S,3R)-1-[4-(6-bromohexoxy)-2,6-difluorophenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;3-[[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]hexyl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one;2,6-difluoro-4-hydroxybenzaldehyde;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;2-fluoro-N-[(2R)-1-(3H-inden-1-yl)propan-2-yl]-2-methylpropan-1-amine (CID 167629408) is 6-bromohexan-1-ol;4-(6-bromohexoxy)-2,6-difluorobenzaldehyde;(1S,3R)-1-[4-(6-bromohexoxy)-2,6-difluorophenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;3-[[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]hexyl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one;2,6-difluoro-4-hydroxybenzaldehyde;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;2-fluoro-N-[(2R)-1-(3H-inden-1-yl)propan-2-yl]-2-methylpropan-1-amine.

What is the SMILES notation for 6-bromohexan-1-ol;4-(6-bromohexoxy)-2,6-difluorobenzaldehyde;(1S,3R)-1-[4-(6-bromohexoxy)-2,6-difluorophenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;3-[[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]hexyl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one;2,6-difluoro-4-hydroxybenzaldehyde;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;2-fluoro-N-[(2R)-1-(3H-inden-1-yl)propan-2-yl]-2-methylpropan-1-amine?

The canonical SMILES for 6-bromohexan-1-ol;4-(6-bromohexoxy)-2,6-difluorobenzaldehyde;(1S,3R)-1-[4-(6-bromohexoxy)-2,6-difluorophenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;3-[[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]hexyl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one;2,6-difluoro-4-hydroxybenzaldehyde;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;2-fluoro-N-[(2R)-1-(3H-inden-1-yl)propan-2-yl]-2-methylpropan-1-amine is CCC1=Cc2ncc(CN3CCN(CCCCCCOc4cc(F)c([C@@H]5c6[nH]c7ccccc7c6C[C@@H](C)N5CC(C)(C)F)c(F)c4)CC3)cc2CC1=O.CCc1cc2ncc(CN3CCNCC3)cc2[nH]c1=O.C[C@@H]1CC2=C(Cc3ccccc32)[C@@H](c2c(F)cc(OCCCCCCBr)cc2F)N1CC(C)(C)F.C[C@H](CC1=CCc2ccccc21)NCC(C)(C)F.O=Cc1c(F)cc(O)cc1F.O=Cc1c(F)cc(OCCCCCCBr)cc1F.OCCCCCCBr.

What is the InChIKey of 6-bromohexan-1-ol;4-(6-bromohexoxy)-2,6-difluorobenzaldehyde;(1S,3R)-1-[4-(6-bromohexoxy)-2,6-difluorophenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;3-[[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]hexyl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one;2,6-difluoro-4-hydroxybenzaldehyde;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;2-fluoro-N-[(2R)-1-(3H-inden-1-yl)propan-2-yl]-2-methylpropan-1-amine?

The InChIKey is NOQCKWZXBGVYMY-LKAXLRAWSA-N. The full InChI is InChI=1S/C44H54F3N5O2.C29H35BrF3NO.C16H22FN.C15H20N4O.C13H15BrF2O2.C7H4F2O2.C6H13BrO/c1-5-31-22-39-32(23-40(31)53)21-30(26-48-39)27-51-17-15-50(16-18-51)14-10-6-7-11-19-54-33-24-36(45)41(37(46)25-33)43-42-35(34-12-8-9-13-38(34)49-42)20-29(2)52(43)28-44(3,4)47;1-19-14-23-22-11-7-6-10-20(22)15-24(23)28(34(19)18-29(2,3)33)27-25(31)16-21(17-26(27)32)35-13-9-5-4-8-12-30;1-12(18-11-16(2,3)17)10-14-9-8-13-6-4-5-7-15(13)14;1-2-12-8-13-14(18-15(12)20)7-11(9-17-13)10-19-5-3-16-4-6-19;14-5-3-1-2-4-6-18-10-7-12(15)11(9-17)13(16)8-10;8-6-1-4(11)2-7(9)5(6)3-10;7-5-3-1-2-4-6-8/h8-9,12-13,21-22,24-26,29,43,49H,5-7,10-11,14-20,23,27-28H2,1-4H3;6-7,10-11,16-17,19,28H,4-5,8-9,12-15,18H2,1-3H3;4-7,9,12,18H,8,10-11H2,1-3H3;7-9,16H,2-6,10H2,1H3,(H,18,20);7-9H,1-6H2;1-3,11H;8H,1-6H2/t29-,43-;19-,28+;12-;;;;/m111..../s1.

What are the key properties of 6-bromohexan-1-ol;4-(6-bromohexoxy)-2,6-difluorobenzaldehyde;(1S,3R)-1-[4-(6-bromohexoxy)-2,6-difluorophenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;3-[[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]hexyl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one;2,6-difluoro-4-hydroxybenzaldehyde;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;2-fluoro-N-[(2R)-1-(3H-inden-1-yl)propan-2-yl]-2-methylpropan-1-amine?

6-bromohexan-1-ol;4-(6-bromohexoxy)-2,6-difluorobenzaldehyde;(1S,3R)-1-[4-(6-bromohexoxy)-2,6-difluorophenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;3-[[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]hexyl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one;2,6-difluoro-4-hydroxybenzaldehyde;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;2-fluoro-N-[(2R)-1-(3H-inden-1-yl)propan-2-yl]-2-methylpropan-1-amine has a molecular weight of 2472.49 g/mol, XLogP of 28.95, 46 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromohexan-1-ol;4-(6-bromohexoxy)-2,6-difluorobenzaldehyde;(1S,3R)-1-[4-(6-bromohexoxy)-2,6-difluorophenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;3-[[4-[6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]hexyl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one;2,6-difluoro-4-hydroxybenzaldehyde;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;2-fluoro-N-[(2R)-1-(3H-inden-1-yl)propan-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 167629408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).