1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one

C182H214F6N12O17 — CID 157398411

IUPAC1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one
SMILESCCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2CN2CCCCC2)cc1.CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2CN2CCOCC2)cc1.CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2N2CCCCC2)cc1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2CN2CCCCC2)cc1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2CN2CCOCC2)cc1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2N2CCCCC2)cc1
InChIInChI=1S/C33H41FN2O3.C32H39FN2O4.C32H39FN2O3.C29H33FN2O2.C28H31FN2O3.C28H31FN2O2/c1-4-38-30-13-9-26(10-14-30)32-15-11-28(35-33(32)22-36-16-6-5-7-17-36)21-29(37)12-8-25-18-27(34)20-31(19-25)39-23-24(2)3;1-4-38-29-10-6-25(7-11-29)31-12-8-27(34-32(31)21-35-13-15-37-16-14-35)20-28(36)9-5-24-17-26(33)19-30(18-24)39-22-23(2)3;1-4-37-29-13-9-25(10-14-29)31-15-11-27(34-32(31)35-16-6-5-7-17-35)21-28(36)12-8-24-18-26(33)20-30(19-24)38-22-23(2)3;1-2-34-27-14-10-23(11-15-27)28-16-12-25(31-29(28)21-32-17-4-3-5-18-32)20-26(33)13-9-22-7-6-8-24(30)19-22;1-2-34-26-11-7-22(8-12-26)27-13-9-24(30-28(27)20-31-14-16-33-17-15-31)19-25(32)10-6-21-4-3-5-23(29)18-21;1-2-33-26-14-10-22(11-15-26)27-16-12-24(30-28(27)31-17-4-3-5-18-31)20-25(32)13-9-21-7-6-8-23(29)19-21/h9-11,13-15,18-20,24H,4-8,12,16-17,21-23H2,1-3H3;6-8,10-12,17-19,23H,4-5,9,13-16,20-22H2,1-3H3;9-11,13-15,18-20,23H,4-8,12,16-17,21-22H2,1-3H3;6-8,10-12,14-16,19H,2-5,9,13,17-18,20-21H2,1H3;3-5,7-9,11-13,18H,2,6,10,14-17,19-20H2,1H3;6-8,10-12,14-16,19H,2-5,9,13,17-18,20H2,1H3
InChIKeyBMVVTTULVCJYDV-UHFFFAOYSA-N
MW2955.77 g/mol
LogP36.91
Rot. Bonds67

About 1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one

1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one (PubChem CID 157398411) has the molecular formula C182H214F6N12O17 and a molecular weight of 2955.77 g/mol. Its IUPAC name is 1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one.

Molecular Properties

Compound Name1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one
PubChem CID157398411
Molecular FormulaC182H214F6N12O17
Molecular Weight2955.77 g/mol
Exact Mass2953.62
IUPAC Name1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one
SMILESCCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2CN2CCCCC2)cc1.CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2CN2CCOCC2)cc1.CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2N2CCCCC2)cc1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2CN2CCCCC2)cc1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2CN2CCOCC2)cc1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2N2CCCCC2)cc1
InChIInChI=1S/C33H41FN2O3.C32H39FN2O4.C32H39FN2O3.C29H33FN2O2.C28H31FN2O3.C28H31FN2O2/c1-4-38-30-13-9-26(10-14-30)32-15-11-28(35-33(32)22-36-16-6-5-7-17-36)21-29(37)12-8-25-18-27(34)20-31(19-25)39-23-24(2)3;1-4-38-29-10-6-25(7-11-29)31-12-8-27(34-32(31)21-35-13-15-37-16-14-35)20-28(36)9-5-24-17-26(33)19-30(18-24)39-22-23(2)3;1-4-37-29-13-9-25(10-14-29)31-15-11-27(34-32(31)35-16-6-5-7-17-35)21-28(36)12-8-24-18-26(33)20-30(19-24)38-22-23(2)3;1-2-34-27-14-10-23(11-15-27)28-16-12-25(31-29(28)21-32-17-4-3-5-18-32)20-26(33)13-9-22-7-6-8-24(30)19-22;1-2-34-26-11-7-22(8-12-26)27-13-9-24(30-28(27)20-31-14-16-33-17-15-31)19-25(32)10-6-21-4-3-5-23(29)18-21;1-2-33-26-14-10-22(11-15-26)27-16-12-24(30-28(27)31-17-4-3-5-18-31)20-25(32)13-9-21-7-6-8-23(29)19-21/h9-11,13-15,18-20,24H,4-8,12,16-17,21-23H2,1-3H3;6-8,10-12,17-19,23H,4-5,9,13-16,20-22H2,1-3H3;9-11,13-15,18-20,23H,4-8,12,16-17,21-22H2,1-3H3;6-8,10-12,14-16,19H,2-5,9,13,17-18,20-21H2,1H3;3-5,7-9,11-13,18H,2,6,10,14-17,19-20H2,1H3;6-8,10-12,14-16,19H,2-5,9,13,17-18,20H2,1H3
InChIKeyBMVVTTULVCJYDV-UHFFFAOYSA-N
XLogP36.91
TPSA300.73 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds67
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002955.77
LogP ≤ 536.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one
CID 161158752
1-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(2-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(2-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one
CID 159791521
N-[(1R)-1-cyclohexylethyl]-2-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]acetamide
CID 59529138
1-[5-(4-chlorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]-N-[(3-methylphenyl)methyl]acetamide;1-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;2-[5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(1-hydroxy-5-phenylpyridin-1-ium-2-yl)acetamide;1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one
CID 157296923
ethane;2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methyl]acetamide
CID 143708346
1-[2-[[3-(4-ethoxyphenyl)-6-[2-(3-fluorophenyl)ethyl]-2-pyridinyl]oxy]ethyl]-4-methylpiperazine
CID 143708413
2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]methyl]acetamide
CID 11504134
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 55808588
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 39632964
1-(azepan-1-yl)-3-[3-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol
CID 72839922
1-[(4-fluorophenyl)methyl]-3-[4-(2-methylpropoxy)phenyl]-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110551464
[3-(2-methyl-3-morpholin-4-ylpropoxy)phenyl]methanamine
CID 82037292

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one?
The IUPAC name of 1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one (CID 157398411) is 1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one.
What is the SMILES notation for 1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one?
The canonical SMILES for 1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one is CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2CN2CCCCC2)cc1.CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2CN2CCOCC2)cc1.CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2N2CCCCC2)cc1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2CN2CCCCC2)cc1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2CN2CCOCC2)cc1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2N2CCCCC2)cc1.
What is the InChIKey of 1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one?
The InChIKey is BMVVTTULVCJYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41FN2O3.C32H39FN2O4.C32H39FN2O3.C29H33FN2O2.C28H31FN2O3.C28H31FN2O2/c1-4-38-30-13-9-26(10-14-30)32-15-11-28(35-33(32)22-36-16-6-5-7-17-36)21-29(37)12-8-25-18-27(34)20-31(19-25)39-23-24(2)3;1-4-38-29-10-6-25(7-11-29)31-12-8-27(34-32(31)21-35-13-15-37-16-14-35)20-28(36)9-5-24-17-26(33)19-30(18-24)39-22-23(2)3;1-4-37-29-13-9-25(10-14-29)31-15-11-27(34-32(31)35-16-6-5-7-17-35)21-28(36)12-8-24-18-26(33)20-30(19-24)38-22-23(2)3;1-2-34-27-14-10-23(11-15-27)28-16-12-25(31-29(28)21-32-17-4-3-5-18-32)20-26(33)13-9-22-7-6-8-24(30)19-22;1-2-34-26-11-7-22(8-12-26)27-13-9-24(30-28(27)20-31-14-16-33-17-15-31)19-25(32)10-6-21-4-3-5-23(29)18-21;1-2-33-26-14-10-22(11-15-26)27-16-12-24(30-28(27)31-17-4-3-5-18-31)20-25(32)13-9-21-7-6-8-23(29)19-21/h9-11,13-15,18-20,24H,4-8,12,16-17,21-23H2,1-3H3;6-8,10-12,17-19,23H,4-5,9,13-16,20-22H2,1-3H3;9-11,13-15,18-20,23H,4-8,12,16-17,21-22H2,1-3H3;6-8,10-12,14-16,19H,2-5,9,13,17-18,20-21H2,1H3;3-5,7-9,11-13,18H,2,6,10,14-17,19-20H2,1H3;6-8,10-12,14-16,19H,2-5,9,13,17-18,20H2,1H3.
What are the key properties of 1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one?
1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one has a molecular weight of 2955.77 g/mol, XLogP of 36.91, 67 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one is sourced from PubChem (CID 157398411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).