4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one;N-[(3-fluorophenyl)methyl]-2-(6-phenyl-3-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one

C164H181F6N13O10 — CID 160938583

IUPAC4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one;N-[(3-fluorophenyl)methyl]-2-(6-phenyl-3-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one
SMILESCC(C)COc1cc(F)cc(CCC(=O)Cc2ccc(-c3ccc(CN4CCN(C)CC4)cc3)cn2)c1.CC(C)COc1cc(F)cc(CCC(=O)Cc2ccc(-c3ccc(CN4CCOCC4)cc3)cn2)c1.CC(C)COc1cc(F)cc(CCC(=O)Cc2ccc(-c3ccc(N4CCCCC4)cc3)cn2)c1.O=C(CCc1cccc(F)c1)Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cn1.O=C(CCc1cccc(F)c1)Cc1ccc(-c2ccc(N3CCCCC3)cc2)cn1.O=C(Cc1ccc(-c2ccccc2)nc1)NCc1cccc(F)c1
InChIInChI=1S/C31H38FN3O2.C30H35FN2O3.C30H35FN2O2.C27H29FN2O.C26H27FN2O.C20H17FN2O/c1-23(2)22-37-31-17-25(16-28(32)18-31)6-11-30(36)19-29-10-9-27(20-33-29)26-7-4-24(5-8-26)21-35-14-12-34(3)13-15-35;1-22(2)21-36-30-16-24(15-27(31)17-30)5-10-29(34)18-28-9-8-26(19-32-28)25-6-3-23(4-7-25)20-33-11-13-35-14-12-33;1-22(2)21-35-30-17-23(16-26(31)18-30)6-13-29(34)19-27-10-7-25(20-32-27)24-8-11-28(12-9-24)33-14-4-3-5-15-33;28-25-6-4-5-21(17-25)9-14-27(31)18-26-13-12-24(19-29-26)23-10-7-22(8-11-23)20-30-15-2-1-3-16-30;27-23-6-4-5-20(17-23)7-14-26(30)18-24-11-8-22(19-28-24)21-9-12-25(13-10-21)29-15-2-1-3-16-29;21-18-8-4-5-15(11-18)14-23-20(24)12-16-9-10-19(22-13-16)17-6-2-1-3-7-17/h4-5,7-10,16-18,20,23H,6,11-15,19,21-22H2,1-3H3;3-4,6-9,15-17,19,22H,5,10-14,18,20-21H2,1-2H3;7-12,16-18,20,22H,3-6,13-15,19,21H2,1-2H3;4-8,10-13,17,19H,1-3,9,14-16,18,20H2;4-6,8-13,17,19H,1-3,7,14-16,18H2;1-11,13H,12,14H2,(H,23,24)
InChIKeySUEXDGFNDRAKMU-UHFFFAOYSA-N
MW2608.32 g/mol
LogP32.56
Rot. Bonds52

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

4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one;N-[(3-fluorophenyl)methyl]-2-(6-phenyl-3-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one (PubChem CID 160938583) has the molecular formula C164H181F6N13O10 and a molecular weight of 2608.32 g/mol. Its IUPAC name is 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one;N-[(3-fluorophenyl)methyl]-2-(6-phenyl-3-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one.

Molecular Properties

Compound Name4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one;N-[(3-fluorophenyl)methyl]-2-(6-phenyl-3-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one
PubChem CID160938583
Molecular FormulaC164H181F6N13O10
Molecular Weight2608.32 g/mol
Exact Mass2606.40
IUPAC Name4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one;N-[(3-fluorophenyl)methyl]-2-(6-phenyl-3-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one
SMILESCC(C)COc1cc(F)cc(CCC(=O)Cc2ccc(-c3ccc(CN4CCN(C)CC4)cc3)cn2)c1.CC(C)COc1cc(F)cc(CCC(=O)Cc2ccc(-c3ccc(CN4CCOCC4)cc3)cn2)c1.CC(C)COc1cc(F)cc(CCC(=O)Cc2ccc(-c3ccc(N4CCCCC4)cc3)cn2)c1.O=C(CCc1cccc(F)c1)Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cn1.O=C(CCc1cccc(F)c1)Cc1ccc(-c2ccc(N3CCCCC3)cc2)cn1.O=C(Cc1ccc(-c2ccccc2)nc1)NCc1cccc(F)c1
InChIInChI=1S/C31H38FN3O2.C30H35FN2O3.C30H35FN2O2.C27H29FN2O.C26H27FN2O.C20H17FN2O/c1-23(2)22-37-31-17-25(16-28(32)18-31)6-11-30(36)19-29-10-9-27(20-33-29)26-7-4-24(5-8-26)21-35-14-12-34(3)13-15-35;1-22(2)21-36-30-16-24(15-27(31)17-30)5-10-29(34)18-28-9-8-26(19-32-28)25-6-3-23(4-7-25)20-33-11-13-35-14-12-33;1-22(2)21-35-30-17-23(16-26(31)18-30)6-13-29(34)19-27-10-7-25(20-32-27)24-8-11-28(12-9-24)33-14-4-3-5-15-33;28-25-6-4-5-21(17-25)9-14-27(31)18-26-13-12-24(19-29-26)23-10-7-22(8-11-23)20-30-15-2-1-3-16-30;27-23-6-4-5-20(17-23)7-14-26(30)18-24-11-8-22(19-28-24)21-9-12-25(13-10-21)29-15-2-1-3-16-29;21-18-8-4-5-15(11-18)14-23-20(24)12-16-9-10-19(22-13-16)17-6-2-1-3-7-17/h4-5,7-10,16-18,20,23H,6,11-15,19,21-22H2,1-3H3;3-4,6-9,15-17,19,22H,5,10-14,18,20-21H2,1-2H3;7-12,16-18,20,22H,3-6,13-15,19,21H2,1-2H3;4-8,10-13,17,19H,1-3,9,14-16,18,20H2;4-6,8-13,17,19H,1-3,7,14-16,18H2;1-11,13H,12,14H2,(H,23,24)
InChIKeySUEXDGFNDRAKMU-UHFFFAOYSA-N
XLogP32.56
TPSA248.15 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds52
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002608.32
LogP ≤ 532.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one;N-[(3-fluorophenyl)methyl]-2-(6-phenyl-3-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one?
The IUPAC name of 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one;N-[(3-fluorophenyl)methyl]-2-(6-phenyl-3-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one (CID 160938583) is 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one;N-[(3-fluorophenyl)methyl]-2-(6-phenyl-3-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one.
What is the SMILES notation for 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one;N-[(3-fluorophenyl)methyl]-2-(6-phenyl-3-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one?
The canonical SMILES for 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one;N-[(3-fluorophenyl)methyl]-2-(6-phenyl-3-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one is CC(C)COc1cc(F)cc(CCC(=O)Cc2ccc(-c3ccc(CN4CCN(C)CC4)cc3)cn2)c1.CC(C)COc1cc(F)cc(CCC(=O)Cc2ccc(-c3ccc(CN4CCOCC4)cc3)cn2)c1.CC(C)COc1cc(F)cc(CCC(=O)Cc2ccc(-c3ccc(N4CCCCC4)cc3)cn2)c1.O=C(CCc1cccc(F)c1)Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cn1.O=C(CCc1cccc(F)c1)Cc1ccc(-c2ccc(N3CCCCC3)cc2)cn1.O=C(Cc1ccc(-c2ccccc2)nc1)NCc1cccc(F)c1.
What is the InChIKey of 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one;N-[(3-fluorophenyl)methyl]-2-(6-phenyl-3-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one?
The InChIKey is SUEXDGFNDRAKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38FN3O2.C30H35FN2O3.C30H35FN2O2.C27H29FN2O.C26H27FN2O.C20H17FN2O/c1-23(2)22-37-31-17-25(16-28(32)18-31)6-11-30(36)19-29-10-9-27(20-33-29)26-7-4-24(5-8-26)21-35-14-12-34(3)13-15-35;1-22(2)21-36-30-16-24(15-27(31)17-30)5-10-29(34)18-28-9-8-26(19-32-28)25-6-3-23(4-7-25)20-33-11-13-35-14-12-33;1-22(2)21-35-30-17-23(16-26(31)18-30)6-13-29(34)19-27-10-7-25(20-32-27)24-8-11-28(12-9-24)33-14-4-3-5-15-33;28-25-6-4-5-21(17-25)9-14-27(31)18-26-13-12-24(19-29-26)23-10-7-22(8-11-23)20-30-15-2-1-3-16-30;27-23-6-4-5-20(17-23)7-14-26(30)18-24-11-8-22(19-28-24)21-9-12-25(13-10-21)29-15-2-1-3-16-29;21-18-8-4-5-15(11-18)14-23-20(24)12-16-9-10-19(22-13-16)17-6-2-1-3-7-17/h4-5,7-10,16-18,20,23H,6,11-15,19,21-22H2,1-3H3;3-4,6-9,15-17,19,22H,5,10-14,18,20-21H2,1-2H3;7-12,16-18,20,22H,3-6,13-15,19,21H2,1-2H3;4-8,10-13,17,19H,1-3,9,14-16,18,20H2;4-6,8-13,17,19H,1-3,7,14-16,18H2;1-11,13H,12,14H2,(H,23,24).
What are the key properties of 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one;N-[(3-fluorophenyl)methyl]-2-(6-phenyl-3-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one?
4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one;N-[(3-fluorophenyl)methyl]-2-(6-phenyl-3-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one has a molecular weight of 2608.32 g/mol, XLogP of 32.56, 52 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one;N-[(3-fluorophenyl)methyl]-2-(6-phenyl-3-pyridinyl)acetamide;4-(3-fluorophenyl)-1-[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]butan-2-one is sourced from PubChem (CID 160938583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).