5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[(4-hydroxypiperidin-1-yl)methyl]phenoxy]methyl]pyridine-3-carbonitrile;piperidin-4-ol

C68H62Cl2F2N6O7 — CID 161454101

About 5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[(4-hydroxypiperidin-1-yl)methyl]phenoxy]methyl]pyridine-3-carbonitrile;piperidin-4-ol

5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[(4-hydroxypiperidin-1-yl)methyl]phenoxy]methyl]pyridine-3-carbonitrile;piperidin-4-ol (PubChem CID 161454101) has the molecular formula C68H62Cl2F2N6O7 and a molecular weight of 1184.18 g/mol. Its IUPAC name is 5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[(4-hydroxypiperidin-1-yl)methyl]phenoxy]methyl]pyridine-3-carbonitrile;piperidin-4-ol.

Molecular Properties

• Compound Name: 5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[(4-hydroxypiperidin-1-yl)methyl]phenoxy]methyl]pyridine-3-carbonitrile;piperidin-4-ol
• PubChem CID: 161454101
• Molecular Formula: C68H62Cl2F2N6O7
• Molecular Weight: 1184.18 g/mol
• Exact Mass: 1182.40
• IUPAC Name: 5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[(4-hydroxypiperidin-1-yl)methyl]phenoxy]methyl]pyridine-3-carbonitrile;piperidin-4-ol
• SMILES: N#Cc1cncc(COc2cc(O[C@H]3CCc4c(-c5ccccc5F)cccc43)c(Cl)cc2C=O)c1.N#Cc1cncc(COc2cc(O[C@H]3CCc4c(-c5ccccc5F)cccc43)c(Cl)cc2CN2CCC(O)CC2)c1.OC1CCNCC1
• InChI: InChI=1S/C34H31ClFN3O3.C29H20ClFN2O3.C5H11NO/c35-30-15-24(20-39-12-10-25(40)11-13-39)33(41-21-23-14-22(17-37)18-38-19-23)16-34(30)42-32-9-8-27-26(5-3-6-29(27)32)28-4-1-2-7-31(28)36;30-25-11-20(16-34)28(35-17-19-10-18(13-32)14-33-15-19)12-29(25)36-27-9-8-22-21(5-3-6-24(22)27)23-4-1-2-7-26(23)31;7-5-1-3-6-4-2-5/h1-7,14-16,18-19,25,32,40H,8-13,20-21H2;1-7,10-12,14-16,27H,8-9,17H2;5-7H,1-4H2/t32-;27-;/m00./s1
• InChIKey: WAXPAFSHFRMWOP-GTFLJMHYSA-N
• XLogP: 13.62
• TPSA: 183.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1184.18
LogP ≤ 5	13.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[(4-hydroxypiperidin-1-yl)methyl]phenoxy]methyl]pyridine-3-carbonitrile;piperidin-4-ol?

The IUPAC name of 5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[(4-hydroxypiperidin-1-yl)methyl]phenoxy]methyl]pyridine-3-carbonitrile;piperidin-4-ol (CID 161454101) is 5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[(4-hydroxypiperidin-1-yl)methyl]phenoxy]methyl]pyridine-3-carbonitrile;piperidin-4-ol.

What is the SMILES notation for 5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[(4-hydroxypiperidin-1-yl)methyl]phenoxy]methyl]pyridine-3-carbonitrile;piperidin-4-ol?

The canonical SMILES for 5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[(4-hydroxypiperidin-1-yl)methyl]phenoxy]methyl]pyridine-3-carbonitrile;piperidin-4-ol is N#Cc1cncc(COc2cc(O[C@H]3CCc4c(-c5ccccc5F)cccc43)c(Cl)cc2C=O)c1.N#Cc1cncc(COc2cc(O[C@H]3CCc4c(-c5ccccc5F)cccc43)c(Cl)cc2CN2CCC(O)CC2)c1.OC1CCNCC1.

What is the InChIKey of 5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[(4-hydroxypiperidin-1-yl)methyl]phenoxy]methyl]pyridine-3-carbonitrile;piperidin-4-ol?

The InChIKey is WAXPAFSHFRMWOP-GTFLJMHYSA-N. The full InChI is InChI=1S/C34H31ClFN3O3.C29H20ClFN2O3.C5H11NO/c35-30-15-24(20-39-12-10-25(40)11-13-39)33(41-21-23-14-22(17-37)18-38-19-23)16-34(30)42-32-9-8-27-26(5-3-6-29(27)32)28-4-1-2-7-31(28)36;30-25-11-20(16-34)28(35-17-19-10-18(13-32)14-33-15-19)12-29(25)36-27-9-8-22-21(5-3-6-24(22)27)23-4-1-2-7-26(23)31;7-5-1-3-6-4-2-5/h1-7,14-16,18-19,25,32,40H,8-13,20-21H2;1-7,10-12,14-16,27H,8-9,17H2;5-7H,1-4H2/t32-;27-;/m00./s1.

What are the key properties of 5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[(4-hydroxypiperidin-1-yl)methyl]phenoxy]methyl]pyridine-3-carbonitrile;piperidin-4-ol?

5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[(4-hydroxypiperidin-1-yl)methyl]phenoxy]methyl]pyridine-3-carbonitrile;piperidin-4-ol has a molecular weight of 1184.18 g/mol, XLogP of 13.62, 15 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[(4-hydroxypiperidin-1-yl)methyl]phenoxy]methyl]pyridine-3-carbonitrile;piperidin-4-ol is sourced from PubChem (CID 161454101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).