5-[[4-chloro-5-[[(1S)-4-(2-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;bis(5-[[4-chloro-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-5-[[(1S)-4-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]methyl]pyridine-3-carbonitrile);(2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol

C156H150Cl6FN13O15 — CID 159360186

About 5-[[4-chloro-5-[[(1S)-4-(2-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;bis(5-[[4-chloro-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-5-[[(1S)-4-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]methyl]pyridine-3-carbonitrile);(2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol

5-[[4-chloro-5-[[(1S)-4-(2-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;bis(5-[[4-chloro-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-5-[[(1S)-4-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]methyl]pyridine-3-carbonitrile);(2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol (PubChem CID 159360186) has the molecular formula C156H150Cl6FN13O15 and a molecular weight of 2678.71 g/mol. Its IUPAC name is 5-[[4-chloro-5-[[(1S)-4-(2-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;bis(5-[[4-chloro-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-5-[[(1S)-4-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]methyl]pyridine-3-carbonitrile);(2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol.

Molecular Properties

• Compound Name: 5-[[4-chloro-5-[[(1S)-4-(2-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;bis(5-[[4-chloro-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-5-[[(1S)-4-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]methyl]pyridine-3-carbonitrile);(2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol
• PubChem CID: 159360186
• Molecular Formula: C156H150Cl6FN13O15
• Molecular Weight: 2678.71 g/mol
• Exact Mass: 2673.95
• IUPAC Name: 5-[[4-chloro-5-[[(1S)-4-(2-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;bis(5-[[4-chloro-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-5-[[(1S)-4-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]methyl]pyridine-3-carbonitrile);(2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol
• SMILES: COc1cc(O[C@H]2CCc3c(-c4ccccc4)cccc32)c(Cl)cc1CN[C@H](C)CO.C[C@H](CO)NCc1cc(Cl)c(O[C@H]2CCc3c(-c4ccc(F)cc4)cccc32)cc1OCc1cncc(C#N)c1.C[C@H](CO)NCc1cc(Cl)c(O[C@H]2CCc3c(-c4ccccc4Cl)cccc32)cc1OCc1cncc(C#N)c1.Cc1ccccc1-c1cccc2c1CC[C@@H]2Oc1cc(OCc2cncc(C#N)c2)c(CN[C@H](C)CO)cc1Cl.Cc1ccccc1-c1cccc2c1CC[C@@H]2Oc1cc(OCc2cncc(C#N)c2)c(CN[C@H](C)CO)cc1Cl
• InChI: InChI=1S/2C33H32ClN3O3.C32H29Cl2N3O3.C32H29ClFN3O3.C26H28ClNO3/c2*1-21-6-3-4-7-26(21)27-8-5-9-29-28(27)10-11-31(29)40-33-14-32(25(13-30(33)34)18-37-22(2)19-38)39-20-24-12-23(15-35)16-36-17-24;1-20(18-38)37-17-23-12-29(34)32(13-31(23)39-19-22-11-21(14-35)15-36-16-22)40-30-10-9-25-24(6-4-7-27(25)30)26-5-2-3-8-28(26)33;1-20(18-38)37-17-24-12-29(33)32(13-31(24)39-19-22-11-21(14-35)15-36-16-22)40-30-10-9-27-26(3-2-4-28(27)30)23-5-7-25(34)8-6-23;1-17(16-29)28-15-19-13-23(27)26(14-25(19)30-2)31-24-12-11-21-20(9-6-10-22(21)24)18-7-4-3-5-8-18/h2*3-9,12-14,16-17,22,31,37-38H,10-11,18-20H2,1-2H3;2*2-8,11-13,15-16,20,30,37-38H,9-10,17-19H2,1H3;3-10,13-14,17,24,28-29H,11-12,15-16H2,1-2H3/t2*22-,31+;2*20-,30+;17-,24+/m11111/s1
• InChIKey: LILAIJBCOWYWKY-ONOKDDHESA-N
• XLogP: 32.52
• TPSA: 400.32 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 48
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2678.71
LogP ≤ 5	32.52
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 5-[[4-chloro-5-[[(1S)-4-(2-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;bis(5-[[4-chloro-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-5-[[(1S)-4-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]methyl]pyridine-3-carbonitrile);(2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol?

The IUPAC name of 5-[[4-chloro-5-[[(1S)-4-(2-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;bis(5-[[4-chloro-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-5-[[(1S)-4-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]methyl]pyridine-3-carbonitrile);(2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol (CID 159360186) is 5-[[4-chloro-5-[[(1S)-4-(2-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;bis(5-[[4-chloro-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-5-[[(1S)-4-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]methyl]pyridine-3-carbonitrile);(2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol.

What is the SMILES notation for 5-[[4-chloro-5-[[(1S)-4-(2-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;bis(5-[[4-chloro-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-5-[[(1S)-4-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]methyl]pyridine-3-carbonitrile);(2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol?

The canonical SMILES for 5-[[4-chloro-5-[[(1S)-4-(2-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;bis(5-[[4-chloro-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-5-[[(1S)-4-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]methyl]pyridine-3-carbonitrile);(2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol is COc1cc(O[C@H]2CCc3c(-c4ccccc4)cccc32)c(Cl)cc1CN[C@H](C)CO.C[C@H](CO)NCc1cc(Cl)c(O[C@H]2CCc3c(-c4ccc(F)cc4)cccc32)cc1OCc1cncc(C#N)c1.C[C@H](CO)NCc1cc(Cl)c(O[C@H]2CCc3c(-c4ccccc4Cl)cccc32)cc1OCc1cncc(C#N)c1.Cc1ccccc1-c1cccc2c1CC[C@@H]2Oc1cc(OCc2cncc(C#N)c2)c(CN[C@H](C)CO)cc1Cl.Cc1ccccc1-c1cccc2c1CC[C@@H]2Oc1cc(OCc2cncc(C#N)c2)c(CN[C@H](C)CO)cc1Cl.

What is the InChIKey of 5-[[4-chloro-5-[[(1S)-4-(2-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;bis(5-[[4-chloro-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-5-[[(1S)-4-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]methyl]pyridine-3-carbonitrile);(2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol?

The InChIKey is LILAIJBCOWYWKY-ONOKDDHESA-N. The full InChI is InChI=1S/2C33H32ClN3O3.C32H29Cl2N3O3.C32H29ClFN3O3.C26H28ClNO3/c2*1-21-6-3-4-7-26(21)27-8-5-9-29-28(27)10-11-31(29)40-33-14-32(25(13-30(33)34)18-37-22(2)19-38)39-20-24-12-23(15-35)16-36-17-24;1-20(18-38)37-17-23-12-29(34)32(13-31(23)39-19-22-11-21(14-35)15-36-16-22)40-30-10-9-25-24(6-4-7-27(25)30)26-5-2-3-8-28(26)33;1-20(18-38)37-17-24-12-29(33)32(13-31(24)39-19-22-11-21(14-35)15-36-16-22)40-30-10-9-27-26(3-2-4-28(27)30)23-5-7-25(34)8-6-23;1-17(16-29)28-15-19-13-23(27)26(14-25(19)30-2)31-24-12-11-21-20(9-6-10-22(21)24)18-7-4-3-5-8-18/h2*3-9,12-14,16-17,22,31,37-38H,10-11,18-20H2,1-2H3;2*2-8,11-13,15-16,20,30,37-38H,9-10,17-19H2,1H3;3-10,13-14,17,24,28-29H,11-12,15-16H2,1-2H3/t2*22-,31+;2*20-,30+;17-,24+/m11111/s1.

What are the key properties of 5-[[4-chloro-5-[[(1S)-4-(2-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;bis(5-[[4-chloro-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-5-[[(1S)-4-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]methyl]pyridine-3-carbonitrile);(2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol?

5-[[4-chloro-5-[[(1S)-4-(2-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;bis(5-[[4-chloro-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-5-[[(1S)-4-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]methyl]pyridine-3-carbonitrile);(2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol has a molecular weight of 2678.71 g/mol, XLogP of 32.52, 48 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-chloro-5-[[(1S)-4-(2-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;bis(5-[[4-chloro-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-5-[[(1S)-4-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenoxy]methyl]pyridine-3-carbonitrile);(2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol is sourced from PubChem (CID 159360186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).