About 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[2-fluoro-5-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[1-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-5-fluoro-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[2-fluoro-5-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea
1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[2-fluoro-5-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[1-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-5-fluoro-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[2-fluoro-5-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea (PubChem CID 158038936) has the molecular formula C183H226F3N33O21S5
and a molecular weight of 3441.36 g/mol. Its IUPAC name is 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[2-fluoro-5-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[1-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-5-fluoro-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[2-fluoro-5-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea.
Frequently Asked Questions
What is the IUPAC name of 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[2-fluoro-5-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[1-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-5-fluoro-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[2-fluoro-5-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea?
The IUPAC name of 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[2-fluoro-5-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[1-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-5-fluoro-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[2-fluoro-5-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea (CID 158038936) is 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[2-fluoro-5-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[1-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-5-fluoro-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[2-fluoro-5-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea.
What is the SMILES notation for 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[2-fluoro-5-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[1-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-5-fluoro-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[2-fluoro-5-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea?
The canonical SMILES for 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[2-fluoro-5-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[1-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-5-fluoro-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[2-fluoro-5-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea is CCc1ccc(-c2cc(NC(=O)Nc3cn(C(C)(C)C)nc3C(=O)N3CCN(C)C(=O)C3(C)C)cc(F)c2C)cn1.COc1ccc(-c2cc(NC(=O)Nc3sc(C(C)(C)C)cc3C(=O)N3CCN(C)C(=O)C3(C)C)c(F)cc2C)cn1.COc1ccc(-c2cc(NC(=O)Nc3sc(C(C)(C)C)cc3C(=O)N3CCNC(=O)C3(C)C)c(F)cc2C)cn1.Cc1ccc(-c2cc(NC(=O)Nc3sc(C(C)(C)C)cc3C(=O)N3CCN(C)C(=O)C3(C)C)ccc2C)cn1.Cc1ccc(NC(=O)Nc2sc(C(C)(C)C)cc2C(=O)N2CCN(C)C(=O)C2(C)C)cc1-c1ccc(N2CCOCC2)nc1.Cc1ccc(NC(=O)Nc2sc(C(C)(C)C)cc2C(=O)N2CCNC(=O)C2(C)C)cc1-c1ccc(C(C)C)nc1.
What is the InChIKey of 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[2-fluoro-5-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[1-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-5-fluoro-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[2-fluoro-5-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea?
The InChIKey is FICNJYUCCLMAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N6O4S.C31H39N5O3S.C30H38FN7O3.C30H36FN5O4S.C30H37N5O3S.C29H34FN5O4S/c1-21-8-10-23(18-24(21)22-9-11-27(34-20-22)38-14-16-43-17-15-38)35-31(42)36-28-25(19-26(44-28)32(2,3)4)29(40)39-13-12-37(7)30(41)33(39,5)6;1-18(2)24-12-10-20(17-33-24)22-15-21(11-9-19(22)3)34-29(39)35-26-23(16-25(40-26)30(4,5)6)27(37)36-14-13-32-28(38)31(36,7)8;1-9-20-11-10-19(16-32-20)22-14-21(15-23(31)18(22)2)33-28(41)34-24-17-38(29(3,4)5)35-25(24)26(39)37-13-12-36(8)27(40)30(37,6)7;1-17-13-21(31)22(14-19(17)18-9-10-24(40-8)32-16-18)33-28(39)34-25-20(15-23(41-25)29(2,3)4)26(37)36-12-11-35(7)27(38)30(36,5)6;1-18-9-12-21(15-22(18)20-11-10-19(2)31-17-20)32-28(38)33-25-23(16-24(39-25)29(3,4)5)26(36)35-14-13-34(8)27(37)30(35,6)7;1-16-12-20(30)21(13-18(16)17-8-9-23(39-7)32-15-17)33-27(38)34-24-19(14-22(40-24)28(2,3)4)25(36)35-11-10-31-26(37)29(35,5)6/h8-11,18-20H,12-17H2,1-7H3,(H2,35,36,42);9-12,15-18H,13-14H2,1-8H3,(H,32,38)(H2,34,35,39);10-11,14-17H,9,12-13H2,1-8H3,(H2,33,34,41);9-10,13-16H,11-12H2,1-8H3,(H2,33,34,39);9-12,15-17H,13-14H2,1-8H3,(H2,32,33,38);8-9,12-15H,10-11H2,1-7H3,(H,31,37)(H2,33,34,38).
What are the key properties of 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[2-fluoro-5-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[1-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-5-fluoro-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[2-fluoro-5-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea?
1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[2-fluoro-5-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[1-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-5-fluoro-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[2-fluoro-5-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea has a molecular weight of 3441.36 g/mol, XLogP of 34.69, 29 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[2-fluoro-5-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-propan-2-yl-3-pyridinyl)phenyl]urea;1-[1-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[3-(6-ethyl-3-pyridinyl)-5-fluoro-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[2-fluoro-5-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea is sourced from PubChem (CID 158038936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).