2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one

C58H58Cl2F2N6O11 — CID 162080650

IUPAC2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one
SMILESCOc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)C2CC2)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)C2CC2)ccc1OCc1ncnn1C
InChIInChI=1S/C30H30ClFN4O5.C28H28ClFN2O6/c1-36-28(33-17-34-36)16-41-24-9-5-18(15-26(24)40-3)23(37)12-13-30(38,20-6-7-20)27-11-10-25(39-2)29(35-27)19-4-8-22(32)21(31)14-19;1-36-23-9-10-25(32-27(23)17-3-7-20(30)19(29)13-17)28(35,18-5-6-18)12-11-21(33)16-4-8-22(24(14-16)37-2)38-15-26(31)34/h4-5,8-11,14-15,17,20,38H,6-7,12-13,16H2,1-3H3;3-4,7-10,13-14,18,35H,5-6,11-12,15H2,1-2H3,(H2,31,34)
InChIKeyZCHIQUXVEJDCFV-UHFFFAOYSA-N
MW1124.03 g/mol
LogP10.21
Rot. Bonds24

About 2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one

2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one (PubChem CID 162080650) has the molecular formula C58H58Cl2F2N6O11 and a molecular weight of 1124.03 g/mol. Its IUPAC name is 2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one.

Molecular Properties

Compound Name2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one
PubChem CID162080650
Molecular FormulaC58H58Cl2F2N6O11
Molecular Weight1124.03 g/mol
Exact Mass1122.35
IUPAC Name2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one
SMILESCOc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)C2CC2)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)C2CC2)ccc1OCc1ncnn1C
InChIInChI=1S/C30H30ClFN4O5.C28H28ClFN2O6/c1-36-28(33-17-34-36)16-41-24-9-5-18(15-26(24)40-3)23(37)12-13-30(38,20-6-7-20)27-11-10-25(39-2)29(35-27)19-4-8-22(32)21(31)14-19;1-36-23-9-10-25(32-27(23)17-3-7-20(30)19(29)13-17)28(35,18-5-6-18)12-11-21(33)16-4-8-22(24(14-16)37-2)38-15-26(31)34/h4-5,8-11,14-15,17,20,38H,6-7,12-13,16H2,1-3H3;3-4,7-10,13-14,18,35H,5-6,11-12,15H2,1-2H3,(H2,31,34)
InChIKeyZCHIQUXVEJDCFV-UHFFFAOYSA-N
XLogP10.21
TPSA229.56 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001124.03
LogP ≤ 510.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 117936608
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-cyclopropylethyl]-3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzamide
CID 117936993
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-cyclopropyl-2-hydroxyethyl]-3-methoxy-4-(1H-1,2,4-triazol-5-ylmethoxy)benzamide
CID 117937002
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-cyclopropyl-2-hydroxysulfanylethyl]-3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzamide
CID 134323135
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-cyclopropylpropyl]-3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzamide
CID 134323136
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-cyclopropyl-2-hydroxyethyl]-3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzamide
CID 134323603
4-[6-(3-Chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-(1,2,4-triazol-1-yl)pentan-1-one
CID 147267438
4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[3-methoxy-4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]butan-1-one
CID 147283184
5-amino-1-[4-(2,2-difluorocyclopropyl)oxy-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-[4-(aminomethyl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]butan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-(2-oxopropoxy)phenyl]pentan-1-one
CID 160324580
5-amino-1-[4-(2,2-difluorocyclopropyl)oxy-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-[4-(aminomethyl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-cyclopropyl-1-(3,4-dimethoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]butan-1-one;4-fluoro-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-(2-oxopropoxy)phenyl]pentan-1-one
CID 167580749
4-Cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one
CID 158021268
4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]butan-1-one
CID 160324585

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one?
The IUPAC name of 2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one (CID 162080650) is 2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one.
What is the SMILES notation for 2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one?
The canonical SMILES for 2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one is COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)C2CC2)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)C2CC2)ccc1OCc1ncnn1C.
What is the InChIKey of 2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one?
The InChIKey is ZCHIQUXVEJDCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClFN4O5.C28H28ClFN2O6/c1-36-28(33-17-34-36)16-41-24-9-5-18(15-26(24)40-3)23(37)12-13-30(38,20-6-7-20)27-11-10-25(39-2)29(35-27)19-4-8-22(32)21(31)14-19;1-36-23-9-10-25(32-27(23)17-3-7-20(30)19(29)13-17)28(35,18-5-6-18)12-11-21(33)16-4-8-22(24(14-16)37-2)38-15-26(31)34/h4-5,8-11,14-15,17,20,38H,6-7,12-13,16H2,1-3H3;3-4,7-10,13-14,18,35H,5-6,11-12,15H2,1-2H3,(H2,31,34).
What are the key properties of 2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one?
2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one has a molecular weight of 1124.03 g/mol, XLogP of 10.21, 24 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[3-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]butan-1-one is sourced from PubChem (CID 162080650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).