1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[(1-methylpiperidin-4-yl)methoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one

C149H174F5N11O15 — CID 159009912

IUPAC1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[(1-methylpiperidin-4-yl)methoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one
SMILESCC(C)COc1cc(F)cc(CCC(=O)Cc2ccc(-c3ccc(OCC4CCN(C)CC4)cc3)cn2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC4CCN(C)CC4)c3)nc2)cc1.CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCCN4CCN(C)CC4)c3)nc2)cc1.CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCCN4CCOCC4)c3)nc2)cc1.CN1CCC(COc2ccc(-c3ccc(CC(=O)CCc4cccc(F)c4)nc3)cc2)CC1
InChIInChI=1S/C32H39FN2O3.C30H36FN3O3.C30H35FN2O3.C29H33FN2O4.C28H31FN2O2/c1-23(2)21-37-32-17-25(16-28(33)18-32)4-9-30(36)19-29-8-5-27(20-34-29)26-6-10-31(11-7-26)38-22-24-12-14-35(3)15-13-24;1-3-36-29-10-6-24(7-11-29)25-5-8-27(32-22-25)21-28(35)9-4-23-18-26(31)20-30(19-23)37-17-16-34-14-12-33(2)13-15-34;1-3-35-29-10-6-24(7-11-29)25-5-8-27(32-20-25)19-28(34)9-4-23-16-26(31)18-30(17-23)36-21-22-12-14-33(2)15-13-22;1-2-35-28-9-5-23(6-10-28)24-4-7-26(31-21-24)20-27(33)8-3-22-17-25(30)19-29(18-22)36-16-13-32-11-14-34-15-12-32;1-31-15-13-22(14-16-31)20-33-28-11-7-23(8-12-28)24-6-9-26(30-19-24)18-27(32)10-5-21-3-2-4-25(29)17-21/h5-8,10-11,16-18,20,23-24H,4,9,12-15,19,21-22H2,1-3H3;5-8,10-11,18-20,22H,3-4,9,12-17,21H2,1-2H3;5-8,10-11,16-18,20,22H,3-4,9,12-15,19,21H2,1-2H3;4-7,9-10,17-19,21H,2-3,8,11-16,20H2,1H3;2-4,6-9,11-12,17,19,22H,5,10,13-16,18,20H2,1H3
InChIKeyJSIVTDYGZHNSAF-UHFFFAOYSA-N
MW2454.08 g/mol
LogP26.89
Rot. Bonds56

About 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[(1-methylpiperidin-4-yl)methoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one

1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[(1-methylpiperidin-4-yl)methoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one (PubChem CID 159009912) has the molecular formula C149H174F5N11O15 and a molecular weight of 2454.08 g/mol. Its IUPAC name is 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[(1-methylpiperidin-4-yl)methoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one.

Molecular Properties

Compound Name1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[(1-methylpiperidin-4-yl)methoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one
PubChem CID159009912
Molecular FormulaC149H174F5N11O15
Molecular Weight2454.08 g/mol
Exact Mass2452.31
IUPAC Name1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[(1-methylpiperidin-4-yl)methoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one
SMILESCC(C)COc1cc(F)cc(CCC(=O)Cc2ccc(-c3ccc(OCC4CCN(C)CC4)cc3)cn2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC4CCN(C)CC4)c3)nc2)cc1.CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCCN4CCN(C)CC4)c3)nc2)cc1.CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCCN4CCOCC4)c3)nc2)cc1.CN1CCC(COc2ccc(-c3ccc(CC(=O)CCc4cccc(F)c4)nc3)cc2)CC1
InChIInChI=1S/C32H39FN2O3.C30H36FN3O3.C30H35FN2O3.C29H33FN2O4.C28H31FN2O2/c1-23(2)21-37-32-17-25(16-28(33)18-32)4-9-30(36)19-29-8-5-27(20-34-29)26-6-10-31(11-7-26)38-22-24-12-14-35(3)15-13-24;1-3-36-29-10-6-24(7-11-29)25-5-8-27(32-22-25)21-28(35)9-4-23-18-26(31)20-30(19-23)37-17-16-34-14-12-33(2)13-15-34;1-3-35-29-10-6-24(7-11-29)25-5-8-27(32-20-25)19-28(34)9-4-23-16-26(31)18-30(17-23)36-21-22-12-14-33(2)15-13-22;1-2-35-28-9-5-23(6-10-28)24-4-7-26(31-21-24)20-27(33)8-3-22-17-25(30)19-29(18-22)36-16-13-32-11-14-34-15-12-32;1-31-15-13-22(14-16-31)20-33-28-11-7-23(8-12-28)24-6-9-26(30-19-24)18-27(32)10-5-21-3-2-4-25(29)17-21/h5-8,10-11,16-18,20,23-24H,4,9,12-15,19,21-22H2,1-3H3;5-8,10-11,18-20,22H,3-4,9,12-17,21H2,1-2H3;5-8,10-11,16-18,20,22H,3-4,9,12-15,19,21H2,1-2H3;4-7,9-10,17-19,21H,2-3,8,11-16,20H2,1H3;2-4,6-9,11-12,17,19,22H,5,10,13-16,18,20H2,1H3
InChIKeyJSIVTDYGZHNSAF-UHFFFAOYSA-N
XLogP26.89
TPSA261.54 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds56
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002454.08
LogP ≤ 526.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[(1-methylpiperidin-4-yl)methoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[(1-methylpiperidin-4-yl)methoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one?
The IUPAC name of 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[(1-methylpiperidin-4-yl)methoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one (CID 159009912) is 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[(1-methylpiperidin-4-yl)methoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one.
What is the SMILES notation for 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[(1-methylpiperidin-4-yl)methoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one?
The canonical SMILES for 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[(1-methylpiperidin-4-yl)methoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one is CC(C)COc1cc(F)cc(CCC(=O)Cc2ccc(-c3ccc(OCC4CCN(C)CC4)cc3)cn2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC4CCN(C)CC4)c3)nc2)cc1.CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCCN4CCN(C)CC4)c3)nc2)cc1.CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCCN4CCOCC4)c3)nc2)cc1.CN1CCC(COc2ccc(-c3ccc(CC(=O)CCc4cccc(F)c4)nc3)cc2)CC1.
What is the InChIKey of 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[(1-methylpiperidin-4-yl)methoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one?
The InChIKey is JSIVTDYGZHNSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39FN2O3.C30H36FN3O3.C30H35FN2O3.C29H33FN2O4.C28H31FN2O2/c1-23(2)21-37-32-17-25(16-28(33)18-32)4-9-30(36)19-29-8-5-27(20-34-29)26-6-10-31(11-7-26)38-22-24-12-14-35(3)15-13-24;1-3-36-29-10-6-24(7-11-29)25-5-8-27(32-22-25)21-28(35)9-4-23-18-26(31)20-30(19-23)37-17-16-34-14-12-33(2)13-15-34;1-3-35-29-10-6-24(7-11-29)25-5-8-27(32-20-25)19-28(34)9-4-23-16-26(31)18-30(17-23)36-21-22-12-14-33(2)15-13-22;1-2-35-28-9-5-23(6-10-28)24-4-7-26(31-21-24)20-27(33)8-3-22-17-25(30)19-29(18-22)36-16-13-32-11-14-34-15-12-32;1-31-15-13-22(14-16-31)20-33-28-11-7-23(8-12-28)24-6-9-26(30-19-24)18-27(32)10-5-21-3-2-4-25(29)17-21/h5-8,10-11,16-18,20,23-24H,4,9,12-15,19,21-22H2,1-3H3;5-8,10-11,18-20,22H,3-4,9,12-17,21H2,1-2H3;5-8,10-11,16-18,20,22H,3-4,9,12-15,19,21H2,1-2H3;4-7,9-10,17-19,21H,2-3,8,11-16,20H2,1H3;2-4,6-9,11-12,17,19,22H,5,10,13-16,18,20H2,1H3.
What are the key properties of 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[(1-methylpiperidin-4-yl)methoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one?
1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[(1-methylpiperidin-4-yl)methoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one has a molecular weight of 2454.08 g/mol, XLogP of 26.89, 56 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[(1-methylpiperidin-4-yl)methoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]butan-2-one is sourced from PubChem (CID 159009912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).