4-[4-(2-aminopropan-2-yl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2-pyridinyl]benzonitrile;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile

C190H183Cl5F9N23O24 — CID 158041777

IUPAC4-[4-(2-aminopropan-2-yl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2-pyridinyl]benzonitrile;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile
SMILESC=C(c1cc(C(C)(C)NC(=O)OCc2ccccc2)cc(-c2ccc(C#N)cc2)n1)C(F)(F)F.CC(C)(NC(=O)OCc1ccccc1)c1cc(-c2ccc(C#N)cc2)nc(C(O)(CN)C(F)(F)F)c1.CC(C)(NC(=O)OCc1ccccc1)c1cc(Cl)nc(-c2ccc(C#N)cc2)c1.CC(C)(NC(=O)OCc1ccccc1)c1cc(Cl)nc(Cl)c1.CCC(O)(c1cc(C(C)(C)NC(=O)OCc2ccccc2)cc(-c2ccc(C#N)cc2)n1)C(F)(F)F.COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)N)cc(-c3ccc(C#N)cc3)n2)ccc1OCCO.COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)NC(=O)OCc3ccccc3)cc(-c3ccc(C#N)cc3)n2)ccc1OCCO.N#Cc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C37H39N3O7.C29H33N3O5.C27H26F3N3O3.C26H25F3N4O3.C26H22F3N3O2.C23H20ClN3O2.C16H16Cl2N2O2.C6H2Cl2N2/c1-36(2,40-35(43)47-24-26-8-6-5-7-9-26)29-21-30(27-12-10-25(23-38)11-13-27)39-34(22-29)37(3,44)17-16-31(42)28-14-15-32(46-19-18-41)33(20-28)45-4;1-28(2,31)22-16-23(20-7-5-19(18-30)6-8-20)32-27(17-22)29(3,35)12-11-24(34)21-9-10-25(37-14-13-33)26(15-21)36-4;1-4-26(35,27(28,29)30)23-15-21(14-22(32-23)20-12-10-18(16-31)11-13-20)25(2,3)33-24(34)36-17-19-8-6-5-7-9-19;1-24(2,33-23(34)36-15-18-6-4-3-5-7-18)20-12-21(19-10-8-17(14-30)9-11-19)32-22(13-20)25(35,16-31)26(27,28)29;1-17(26(27,28)29)22-13-21(14-23(31-22)20-11-9-18(15-30)10-12-20)25(2,3)32-24(33)34-16-19-7-5-4-6-8-19;1-23(2,27-22(28)29-15-17-6-4-3-5-7-17)19-12-20(26-21(24)13-19)18-10-8-16(14-25)9-11-18;1-16(2,12-8-13(17)19-14(18)9-12)20-15(21)22-10-11-6-4-3-5-7-11;7-5-1-4(3-9)2-6(8)10-5/h5-15,20-22,41,44H,16-19,24H2,1-4H3,(H,40,43);5-10,15-17,33,35H,11-14,31H2,1-4H3;5-15,35H,4,17H2,1-3H3,(H,33,34);3-13,35H,15-16,31H2,1-2H3,(H,33,34);4-14H,1,16H2,2-3H3,(H,32,33);3-13H,15H2,1-2H3,(H,27,28);3-9H,10H2,1-2H3,(H,20,21);1-2H
InChIKeyFIKZLYYLQCDBQP-UHFFFAOYSA-N
MW3520.94 g/mol
LogP39.13
Rot. Bonds54

About 4-[4-(2-aminopropan-2-yl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2-pyridinyl]benzonitrile;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile

4-[4-(2-aminopropan-2-yl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2-pyridinyl]benzonitrile;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile (PubChem CID 158041777) has the molecular formula C190H183Cl5F9N23O24 and a molecular weight of 3520.94 g/mol. Its IUPAC name is 4-[4-(2-aminopropan-2-yl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2-pyridinyl]benzonitrile;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile.

Molecular Properties

Compound Name4-[4-(2-aminopropan-2-yl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2-pyridinyl]benzonitrile;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile
PubChem CID158041777
Molecular FormulaC190H183Cl5F9N23O24
Molecular Weight3520.94 g/mol
Exact Mass3516.21
IUPAC Name4-[4-(2-aminopropan-2-yl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2-pyridinyl]benzonitrile;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile
SMILESC=C(c1cc(C(C)(C)NC(=O)OCc2ccccc2)cc(-c2ccc(C#N)cc2)n1)C(F)(F)F.CC(C)(NC(=O)OCc1ccccc1)c1cc(-c2ccc(C#N)cc2)nc(C(O)(CN)C(F)(F)F)c1.CC(C)(NC(=O)OCc1ccccc1)c1cc(Cl)nc(-c2ccc(C#N)cc2)c1.CC(C)(NC(=O)OCc1ccccc1)c1cc(Cl)nc(Cl)c1.CCC(O)(c1cc(C(C)(C)NC(=O)OCc2ccccc2)cc(-c2ccc(C#N)cc2)n1)C(F)(F)F.COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)N)cc(-c3ccc(C#N)cc3)n2)ccc1OCCO.COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)NC(=O)OCc3ccccc3)cc(-c3ccc(C#N)cc3)n2)ccc1OCCO.N#Cc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C37H39N3O7.C29H33N3O5.C27H26F3N3O3.C26H25F3N4O3.C26H22F3N3O2.C23H20ClN3O2.C16H16Cl2N2O2.C6H2Cl2N2/c1-36(2,40-35(43)47-24-26-8-6-5-7-9-26)29-21-30(27-12-10-25(23-38)11-13-27)39-34(22-29)37(3,44)17-16-31(42)28-14-15-32(46-19-18-41)33(20-28)45-4;1-28(2,31)22-16-23(20-7-5-19(18-30)6-8-20)32-27(17-22)29(3,35)12-11-24(34)21-9-10-25(37-14-13-33)26(15-21)36-4;1-4-26(35,27(28,29)30)23-15-21(14-22(32-23)20-12-10-18(16-31)11-13-20)25(2,3)33-24(34)36-17-19-8-6-5-7-9-19;1-24(2,33-23(34)36-15-18-6-4-3-5-7-18)20-12-21(19-10-8-17(14-30)9-11-19)32-22(13-20)25(35,16-31)26(27,28)29;1-17(26(27,28)29)22-13-21(14-23(31-22)20-11-9-18(15-30)10-12-20)25(2,3)32-24(33)34-16-19-7-5-4-6-8-19;1-23(2,27-22(28)29-15-17-6-4-3-5-7-17)19-12-20(26-21(24)13-19)18-10-8-16(14-25)9-11-18;1-16(2,12-8-13(17)19-14(18)9-12)20-15(21)22-10-11-6-4-3-5-7-11;7-5-1-4(3-9)2-6(8)10-5/h5-15,20-22,41,44H,16-19,24H2,1-4H3,(H,40,43);5-10,15-17,33,35H,11-14,31H2,1-4H3;5-15,35H,4,17H2,1-3H3,(H,33,34);3-13,35H,15-16,31H2,1-2H3,(H,33,34);4-14H,1,16H2,2-3H3,(H,32,33);3-13H,15H2,1-2H3,(H,27,28);3-9H,10H2,1-2H3,(H,20,21);1-2H
InChIKeyFIKZLYYLQCDBQP-UHFFFAOYSA-N
XLogP39.13
TPSA744.11 Ų
H-Bond Donors14
H-Bond Acceptors41
Rotatable Bonds54
Heavy Atoms251
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003520.94
LogP ≤ 539.13
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[4-(2-aminopropan-2-yl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2-pyridinyl]benzonitrile;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminopropan-2-yl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2-pyridinyl]benzonitrile;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile?
The IUPAC name of 4-[4-(2-aminopropan-2-yl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2-pyridinyl]benzonitrile;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile (CID 158041777) is 4-[4-(2-aminopropan-2-yl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2-pyridinyl]benzonitrile;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile.
What is the SMILES notation for 4-[4-(2-aminopropan-2-yl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2-pyridinyl]benzonitrile;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile?
The canonical SMILES for 4-[4-(2-aminopropan-2-yl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2-pyridinyl]benzonitrile;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile is C=C(c1cc(C(C)(C)NC(=O)OCc2ccccc2)cc(-c2ccc(C#N)cc2)n1)C(F)(F)F.CC(C)(NC(=O)OCc1ccccc1)c1cc(-c2ccc(C#N)cc2)nc(C(O)(CN)C(F)(F)F)c1.CC(C)(NC(=O)OCc1ccccc1)c1cc(Cl)nc(-c2ccc(C#N)cc2)c1.CC(C)(NC(=O)OCc1ccccc1)c1cc(Cl)nc(Cl)c1.CCC(O)(c1cc(C(C)(C)NC(=O)OCc2ccccc2)cc(-c2ccc(C#N)cc2)n1)C(F)(F)F.COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)N)cc(-c3ccc(C#N)cc3)n2)ccc1OCCO.COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)NC(=O)OCc3ccccc3)cc(-c3ccc(C#N)cc3)n2)ccc1OCCO.N#Cc1cc(Cl)nc(Cl)c1.
What is the InChIKey of 4-[4-(2-aminopropan-2-yl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2-pyridinyl]benzonitrile;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile?
The InChIKey is FIKZLYYLQCDBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39N3O7.C29H33N3O5.C27H26F3N3O3.C26H25F3N4O3.C26H22F3N3O2.C23H20ClN3O2.C16H16Cl2N2O2.C6H2Cl2N2/c1-36(2,40-35(43)47-24-26-8-6-5-7-9-26)29-21-30(27-12-10-25(23-38)11-13-27)39-34(22-29)37(3,44)17-16-31(42)28-14-15-32(46-19-18-41)33(20-28)45-4;1-28(2,31)22-16-23(20-7-5-19(18-30)6-8-20)32-27(17-22)29(3,35)12-11-24(34)21-9-10-25(37-14-13-33)26(15-21)36-4;1-4-26(35,27(28,29)30)23-15-21(14-22(32-23)20-12-10-18(16-31)11-13-20)25(2,3)33-24(34)36-17-19-8-6-5-7-9-19;1-24(2,33-23(34)36-15-18-6-4-3-5-7-18)20-12-21(19-10-8-17(14-30)9-11-19)32-22(13-20)25(35,16-31)26(27,28)29;1-17(26(27,28)29)22-13-21(14-23(31-22)20-11-9-18(15-30)10-12-20)25(2,3)32-24(33)34-16-19-7-5-4-6-8-19;1-23(2,27-22(28)29-15-17-6-4-3-5-7-17)19-12-20(26-21(24)13-19)18-10-8-16(14-25)9-11-18;1-16(2,12-8-13(17)19-14(18)9-12)20-15(21)22-10-11-6-4-3-5-7-11;7-5-1-4(3-9)2-6(8)10-5/h5-15,20-22,41,44H,16-19,24H2,1-4H3,(H,40,43);5-10,15-17,33,35H,11-14,31H2,1-4H3;5-15,35H,4,17H2,1-3H3,(H,33,34);3-13,35H,15-16,31H2,1-2H3,(H,33,34);4-14H,1,16H2,2-3H3,(H,32,33);3-13H,15H2,1-2H3,(H,27,28);3-9H,10H2,1-2H3,(H,20,21);1-2H.
What are the key properties of 4-[4-(2-aminopropan-2-yl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2-pyridinyl]benzonitrile;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile?
4-[4-(2-aminopropan-2-yl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2-pyridinyl]benzonitrile;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile has a molecular weight of 3520.94 g/mol, XLogP of 39.13, 54 rotatable bonds, 14 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminopropan-2-yl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2-pyridinyl]benzonitrile;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-chloro-6-(4-cyanophenyl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(4-cyanophenyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-(2,6-dichloro-4-pyridinyl)propan-2-yl]carbamate;2,6-dichloropyridine-4-carbonitrile is sourced from PubChem (CID 158041777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).