bis(6-[[5-acetyl-1-(4-chlorophenyl)-7-fluoro-1-(3-hydroxycyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;bis(6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-(3-methylcyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1S,3S)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1R,3R)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile

C189H156Br3Cl7F7N21O22 — CID 165029531

IUPACbis(6-[[5-acetyl-1-(4-chlorophenyl)-7-fluoro-1-(3-hydroxycyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;bis(6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-(3-methylcyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1S,3S)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1R,3R)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile
SMILESCC(=O)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(C#N)cn1)C2(OC1CCC(O)C1)c1ccc(Cl)cc1.CC(=O)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(C#N)cn1)C2(OC1CCC(O)C1)c1ccc(Cl)cc1.CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(C#N)cn1)[C@@]2(O[C@@H]1CC[C@@H](O)C1)c1ccc(Cl)cc1.CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(C#N)cn1)[C@@]2(O[C@H]1CC[C@H](O)C1)c1ccc(Cl)cc1.CC1CCC(OC2(c3ccc(Cl)cc3)c3c(F)cc(Br)cc3C(=O)N2Cc2ccc(C#N)cn2)C1.CC1CCC(OC2(c3ccc(Cl)cc3)c3c(F)cc(Br)cc3C(=O)N2Cc2ccc(C#N)cn2)C1.N#Cc1ccc(CN2C(=O)c3cc(Br)cc(F)c3C2(O)c2ccc(Cl)cc2)nc1
InChIInChI=1S/2C29H27ClFN3O4.2C28H23ClFN3O4.2C27H22BrClFN3O2.C21H12BrClFN3O2/c2*1-28(2,37)19-11-24-26(25(31)12-19)29(18-4-6-20(30)7-5-18,38-23-10-9-22(35)13-23)34(27(24)36)16-21-8-3-17(14-32)15-33-21;2*1-16(34)18-10-24-26(25(30)11-18)28(19-3-5-20(29)6-4-19,37-23-9-8-22(35)12-23)33(27(24)36)15-21-7-2-17(13-31)14-32-21;2*1-16-2-9-22(10-16)35-27(18-4-6-20(29)7-5-18)25-23(11-19(28)12-24(25)30)26(34)33(27)15-21-8-3-17(13-31)14-32-21;22-14-7-17-19(18(24)8-14)21(29,13-2-4-15(23)5-3-13)27(20(17)28)11-16-6-1-12(9-25)10-26-16/h2*3-8,11-12,15,22-23,35,37H,9-10,13,16H2,1-2H3;2*2-7,10-11,14,22-23,35H,8-9,12,15H2,1H3;2*3-8,11-12,14,16,22H,2,9-10,15H2,1H3;1-8,10,29H,11H2/t22-,23-,29+;22-,23-,29-;;;;;/m01...../s1
InChIKeyMKSKEIJTMJRWIW-PIAINEIFSA-N
MW3694.32 g/mol
LogP36.49
Rot. Bonds37

About bis(6-[[5-acetyl-1-(4-chlorophenyl)-7-fluoro-1-(3-hydroxycyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;bis(6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-(3-methylcyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1S,3S)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1R,3R)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile

bis(6-[[5-acetyl-1-(4-chlorophenyl)-7-fluoro-1-(3-hydroxycyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;bis(6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-(3-methylcyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1S,3S)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1R,3R)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile (PubChem CID 165029531) has the molecular formula C189H156Br3Cl7F7N21O22 and a molecular weight of 3694.32 g/mol. Its IUPAC name is bis(6-[[5-acetyl-1-(4-chlorophenyl)-7-fluoro-1-(3-hydroxycyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;bis(6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-(3-methylcyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1S,3S)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1R,3R)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Namebis(6-[[5-acetyl-1-(4-chlorophenyl)-7-fluoro-1-(3-hydroxycyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;bis(6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-(3-methylcyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1S,3S)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1R,3R)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile
PubChem CID165029531
Molecular FormulaC189H156Br3Cl7F7N21O22
Molecular Weight3694.32 g/mol
Exact Mass3685.70
IUPAC Namebis(6-[[5-acetyl-1-(4-chlorophenyl)-7-fluoro-1-(3-hydroxycyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;bis(6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-(3-methylcyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1S,3S)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1R,3R)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile
SMILESCC(=O)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(C#N)cn1)C2(OC1CCC(O)C1)c1ccc(Cl)cc1.CC(=O)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(C#N)cn1)C2(OC1CCC(O)C1)c1ccc(Cl)cc1.CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(C#N)cn1)[C@@]2(O[C@@H]1CC[C@@H](O)C1)c1ccc(Cl)cc1.CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(C#N)cn1)[C@@]2(O[C@H]1CC[C@H](O)C1)c1ccc(Cl)cc1.CC1CCC(OC2(c3ccc(Cl)cc3)c3c(F)cc(Br)cc3C(=O)N2Cc2ccc(C#N)cn2)C1.CC1CCC(OC2(c3ccc(Cl)cc3)c3c(F)cc(Br)cc3C(=O)N2Cc2ccc(C#N)cn2)C1.N#Cc1ccc(CN2C(=O)c3cc(Br)cc(F)c3C2(O)c2ccc(Cl)cc2)nc1
InChIInChI=1S/2C29H27ClFN3O4.2C28H23ClFN3O4.2C27H22BrClFN3O2.C21H12BrClFN3O2/c2*1-28(2,37)19-11-24-26(25(31)12-19)29(18-4-6-20(30)7-5-18,38-23-10-9-22(35)13-23)34(27(24)36)16-21-8-3-17(14-32)15-33-21;2*1-16(34)18-10-24-26(25(30)11-18)28(19-3-5-20(29)6-4-19,37-23-9-8-22(35)12-23)33(27(24)36)15-21-7-2-17(13-31)14-32-21;2*1-16-2-9-22(10-16)35-27(18-4-6-20(29)7-5-18)25-23(11-19(28)12-24(25)30)26(34)33(27)15-21-8-3-17(13-31)14-32-21;22-14-7-17-19(18(24)8-14)21(29,13-2-4-15(23)5-3-13)27(20(17)28)11-16-6-1-12(9-25)10-26-16/h2*3-8,11-12,15,22-23,35,37H,9-10,13,16H2,1-2H3;2*2-7,10-11,14,22-23,35H,8-9,12,15H2,1H3;2*3-8,11-12,14,16,22H,2,9-10,15H2,1H3;1-8,10,29H,11H2/t22-,23-,29+;22-,23-,29-;;;;;/m01...../s1
InChIKeyMKSKEIJTMJRWIW-PIAINEIFSA-N
XLogP36.49
TPSA630.06 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds37
Heavy Atoms249
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003694.32
LogP ≤ 536.49
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Analyze bis(6-[[5-acetyl-1-(4-chlorophenyl)-7-fluoro-1-(3-hydroxycyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;bis(6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-(3-methylcyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1S,3S)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1R,3R)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

6-[[5-acetyl-1-(4-chlorophenyl)-7-fluoro-1-(3-hydroxycyclobutyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile
CID 135282834
6-[[(1R)-1-(4-chlorophenyl)-1-cyclopentyloxy-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile
CID 142440651
6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile
CID 135282313
6-[[1-(4-chlorophenyl)-7-fluoro-1-(3-hydroxycyclobutyl)oxy-5-[1-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile
CID 137497981
6-[[5-bromo-1-(4-chlorophenyl)-1-(2-ethylcyclopentyl)oxy-7-fluoro-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile
CID 158033861
6-bromo-3-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-4-fluoro-3-hydroxyisoindol-1-one;1-[[5-bromo-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide;1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide;1-[[1-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-7-fluoro-3-oxo-5-prop-1-en-2-ylisoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide
CID 165060775
6-[[(1R)-5-acetyl-1-(4-chlorophenyl)-7-fluoro-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile
CID 135282594
6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-5-[(1S)-1-hydroxy-1-(1-methylpyrazol-3-yl)propyl]-3-oxo-1-[(1S)-3-oxocyclopentyl]oxyisoindol-2-yl]methyl]pyridine-3-carbonitrile
CID 175309496
6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-3-oxo-1-[(1S)-3-oxocyclopentyl]oxy-5-[(1S)-2,2,2-trifluoro-1-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]isoindol-2-yl]methyl]pyridine-3-carbonitrile
CID 175309514
6-[[1-(4-chlorophenyl)-7-fluoro-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-5-(1-hydroxy-1-piperidin-4-ylethyl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile
CID 135282959
6-[[(1R)-1-(4-chlorophenyl)-1-[(1-cyanocyclopropyl)methoxy]-7-fluoro-5-[1-hydroxy-1-(oxan-4-yl)ethyl]-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile
CID 135282567
2-(4-chlorobenzoyl)-3-fluoro-5-[1-hydroxy-1-(oxan-4-yl)ethyl]benzoic acid;1-[[(1R)-1-(4-chlorophenyl)-2-[(5-cyano-2-pyridinyl)methyl]-7-fluoro-5-[1-hydroxy-1-(oxan-4-yl)ethyl]-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide;6-[[1-(4-chlorophenyl)-7-fluoro-1-hydroxy-5-[1-hydroxy-1-(oxan-4-yl)ethyl]-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile
CID 158386097

Frequently Asked Questions

What is the IUPAC name of bis(6-[[5-acetyl-1-(4-chlorophenyl)-7-fluoro-1-(3-hydroxycyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;bis(6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-(3-methylcyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1S,3S)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1R,3R)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile?
The IUPAC name of bis(6-[[5-acetyl-1-(4-chlorophenyl)-7-fluoro-1-(3-hydroxycyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;bis(6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-(3-methylcyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1S,3S)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1R,3R)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile (CID 165029531) is bis(6-[[5-acetyl-1-(4-chlorophenyl)-7-fluoro-1-(3-hydroxycyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;bis(6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-(3-methylcyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1S,3S)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1R,3R)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for bis(6-[[5-acetyl-1-(4-chlorophenyl)-7-fluoro-1-(3-hydroxycyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;bis(6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-(3-methylcyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1S,3S)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1R,3R)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile?
The canonical SMILES for bis(6-[[5-acetyl-1-(4-chlorophenyl)-7-fluoro-1-(3-hydroxycyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;bis(6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-(3-methylcyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1S,3S)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1R,3R)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile is CC(=O)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(C#N)cn1)C2(OC1CCC(O)C1)c1ccc(Cl)cc1.CC(=O)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(C#N)cn1)C2(OC1CCC(O)C1)c1ccc(Cl)cc1.CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(C#N)cn1)[C@@]2(O[C@@H]1CC[C@@H](O)C1)c1ccc(Cl)cc1.CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc1ccc(C#N)cn1)[C@@]2(O[C@H]1CC[C@H](O)C1)c1ccc(Cl)cc1.CC1CCC(OC2(c3ccc(Cl)cc3)c3c(F)cc(Br)cc3C(=O)N2Cc2ccc(C#N)cn2)C1.CC1CCC(OC2(c3ccc(Cl)cc3)c3c(F)cc(Br)cc3C(=O)N2Cc2ccc(C#N)cn2)C1.N#Cc1ccc(CN2C(=O)c3cc(Br)cc(F)c3C2(O)c2ccc(Cl)cc2)nc1.
What is the InChIKey of bis(6-[[5-acetyl-1-(4-chlorophenyl)-7-fluoro-1-(3-hydroxycyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;bis(6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-(3-methylcyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1S,3S)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1R,3R)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile?
The InChIKey is MKSKEIJTMJRWIW-PIAINEIFSA-N. The full InChI is InChI=1S/2C29H27ClFN3O4.2C28H23ClFN3O4.2C27H22BrClFN3O2.C21H12BrClFN3O2/c2*1-28(2,37)19-11-24-26(25(31)12-19)29(18-4-6-20(30)7-5-18,38-23-10-9-22(35)13-23)34(27(24)36)16-21-8-3-17(14-32)15-33-21;2*1-16(34)18-10-24-26(25(30)11-18)28(19-3-5-20(29)6-4-19,37-23-9-8-22(35)12-23)33(27(24)36)15-21-7-2-17(13-31)14-32-21;2*1-16-2-9-22(10-16)35-27(18-4-6-20(29)7-5-18)25-23(11-19(28)12-24(25)30)26(34)33(27)15-21-8-3-17(13-31)14-32-21;22-14-7-17-19(18(24)8-14)21(29,13-2-4-15(23)5-3-13)27(20(17)28)11-16-6-1-12(9-25)10-26-16/h2*3-8,11-12,15,22-23,35,37H,9-10,13,16H2,1-2H3;2*2-7,10-11,14,22-23,35H,8-9,12,15H2,1H3;2*3-8,11-12,14,16,22H,2,9-10,15H2,1H3;1-8,10,29H,11H2/t22-,23-,29+;22-,23-,29-;;;;;/m01...../s1.
What are the key properties of bis(6-[[5-acetyl-1-(4-chlorophenyl)-7-fluoro-1-(3-hydroxycyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;bis(6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-(3-methylcyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1S,3S)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1R,3R)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile?
bis(6-[[5-acetyl-1-(4-chlorophenyl)-7-fluoro-1-(3-hydroxycyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;bis(6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-(3-methylcyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1S,3S)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1R,3R)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile has a molecular weight of 3694.32 g/mol, XLogP of 36.49, 37 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-[[5-acetyl-1-(4-chlorophenyl)-7-fluoro-1-(3-hydroxycyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;bis(6-[[5-bromo-1-(4-chlorophenyl)-7-fluoro-1-(3-methylcyclopentyl)oxy-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile);6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1S,3S)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile;6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(1R,3R)-3-hydroxycyclopentyl]oxy-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 165029531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).