About 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(6-ethynyl-3-pyridinyl)-4-methylphenyl]urea;1-[1-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[3-(6-ethoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-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-[3-(6-ethynyl-3-pyridinyl)-4-methylphenyl]urea;1-[1-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[3-(6-ethoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea (PubChem CID 158916198) has the molecular formula C184H227N33O22S5
and a molecular weight of 3413.38 g/mol. Its IUPAC name is 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(6-ethynyl-3-pyridinyl)-4-methylphenyl]urea;1-[1-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[3-(6-ethoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-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-[3-(6-ethynyl-3-pyridinyl)-4-methylphenyl]urea;1-[1-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[3-(6-ethoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-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-[3-(6-ethynyl-3-pyridinyl)-4-methylphenyl]urea;1-[1-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[3-(6-ethoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea (CID 158916198) is 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(6-ethynyl-3-pyridinyl)-4-methylphenyl]urea;1-[1-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[3-(6-ethoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-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-[3-(6-ethynyl-3-pyridinyl)-4-methylphenyl]urea;1-[1-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[3-(6-ethoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-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-[3-(6-ethynyl-3-pyridinyl)-4-methylphenyl]urea;1-[1-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[3-(6-ethoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea is C#Cc1ccc(-c2cc(NC(=O)Nc3sc(C(C)(C)C)cc3C(=O)N3CCNC(=O)C3(C)C)ccc2C)cn1.CCOc1ccc(-c2cc(NC(=O)Nc3cn(C(C)(C)C)nc3C(=O)N3CCN(C)C(=O)C3(C)C)ccc2C)cn1.CCc1ccc(-c2cc(NC(=O)Nc3cc(C(C)(C)C)sc3C(=O)N3CCN(C)C(=O)C3(C)C)ccc2C)cn1.COc1ccc(-c2cc(NC(=O)Nc3cc(C(C)(C)C)sc3C(=O)N3CCN(C)C(=O)C3(C)C)ccc2C)cn1.COc1ccc(-c2cc(NC(=O)Nc3sc(C(C)(C)C)cc3C(=O)N3CCN(C)C(=O)C3(C)C)ccc2C)cn1.Cc1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)N2CCN(C)C(=O)C2(C)C)cc1-c1ccc(N2CCOCC2)nc1.
What is the InChIKey of 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(6-ethynyl-3-pyridinyl)-4-methylphenyl]urea;1-[1-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[3-(6-ethoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea?
The InChIKey is JHGIQRSBXNMYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N6O4S.C31H39N5O3S.C30H39N7O4.2C30H37N5O4S.C30H33N5O3S/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)36-25-19-26(32(2,3)4)44-28(25)29(40)39-13-12-37(7)30(41)33(39,5)6;1-9-21-13-11-20(18-32-21)23-16-22(12-10-19(23)2)33-29(39)34-24-17-25(30(3,4)5)40-26(24)27(37)36-15-14-35(8)28(38)31(36,6)7;1-9-41-24-13-11-20(17-31-24)22-16-21(12-10-19(22)2)32-28(40)33-23-18-37(29(3,4)5)34-25(23)26(38)36-15-14-35(8)27(39)30(36,6)7;1-18-9-11-20(15-21(18)19-10-12-24(39-8)31-17-19)32-28(38)33-22-16-23(29(2,3)4)40-25(22)26(36)35-14-13-34(7)27(37)30(35,5)6;1-18-9-11-20(15-21(18)19-10-12-24(39-8)31-17-19)32-28(38)33-25-22(16-23(40-25)29(2,3)4)26(36)35-14-13-34(7)27(37)30(35,5)6;1-8-20-12-10-19(17-32-20)22-15-21(11-9-18(22)2)33-28(38)34-25-23(16-24(39-25)29(3,4)5)26(36)35-14-13-31-27(37)30(35,6)7/h8-11,18-20H,12-17H2,1-7H3,(H2,35,36,42);10-13,16-18H,9,14-15H2,1-8H3,(H2,33,34,39);10-13,16-18H,9,14-15H2,1-8H3,(H2,32,33,40);2*9-12,15-17H,13-14H2,1-8H3,(H2,32,33,38);1,9-12,15-17H,13-14H2,2-7H3,(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-[3-(6-ethynyl-3-pyridinyl)-4-methylphenyl]urea;1-[1-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[3-(6-ethoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-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-[3-(6-ethynyl-3-pyridinyl)-4-methylphenyl]urea;1-[1-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[3-(6-ethoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea has a molecular weight of 3413.38 g/mol, XLogP of 33.56, 30 rotatable bonds, 13 hydrogen bond donors, and 36 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-[3-(6-ethynyl-3-pyridinyl)-4-methylphenyl]urea;1-[1-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-[3-(6-ethoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[3-(6-ethyl-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-2-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-3-yl]-3-[4-methyl-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]urea is sourced from PubChem (CID 158916198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).