1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-fluoro-4-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-3-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-4-ylphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea

C213H242ClF4N39O25S8 — CID 162045330

IUPAC1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-fluoro-4-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-3-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-4-ylphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea
SMILESCC(C)(C)c1cc(C(=O)N2CCNC(=O)C2(C)C)c(NC(=O)Nc2cccc(-c3ccc(OCCN4CCOCC4)nc3)c2)s1.CC(C)(C)c1cc(C(=O)N2CCNC(=O)C2(C)C)c(NC(=O)Nc2cccc(-c3cccnc3)c2)s1.CC(C)(C)c1cc(C(=O)N2CCNC(=O)C2(C)C)c(NC(=O)Nc2cccc(-c3ccnc(F)c3)c2)s1.CC(C)(C)c1cc(C(=O)N2CCNC(=O)C2(C)C)c(NC(=O)Nc2cccc(-c3ccncc3)c2)s1.CC(C)(C)c1cc(C(=O)N2CCNC(=O)C2(C)C)c(NC(=O)Nc2cccc(-c3cnco3)c2)s1.Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1-c1ccncc1.Cc1ccc(NC(=O)Nc2sc(C(C)(C)C)cc2C(=O)N2CCNC(=O)C2(C)C)cc1-c1ccncc1.Cc1nc(-c2cccc(NC(=O)Nc3sc(C(C)(C)C)cc3C(=O)N3CCNC(=O)C3(C)C)c2)cs1
InChIInChI=1S/C33H42N6O5S.C28H33N5O3S.C27H30FN5O3S.2C27H31N5O3S.C26H31N5O3S2.C25H29N5O4S.C20H15ClF3N3O/c1-32(2,3)26-20-25(29(40)39-12-11-34-30(41)33(39,4)5)28(45-26)37-31(42)36-24-8-6-7-22(19-24)23-9-10-27(35-21-23)44-18-15-38-13-16-43-17-14-38;1-17-7-8-19(15-20(17)18-9-11-29-12-10-18)31-26(36)32-23-21(16-22(37-23)27(2,3)4)24(34)33-14-13-30-25(35)28(33,5)6;1-26(2,3)20-15-19(23(34)33-12-11-30-24(35)27(33,4)5)22(37-20)32-25(36)31-18-8-6-7-16(13-18)17-9-10-29-21(28)14-17;1-26(2,3)21-15-20(23(33)32-13-12-29-24(34)27(32,4)5)22(36-21)31-25(35)30-19-10-6-8-17(14-19)18-9-7-11-28-16-18;1-26(2,3)21-16-20(23(33)32-14-13-29-24(34)27(32,4)5)22(36-21)31-25(35)30-19-8-6-7-18(15-19)17-9-11-28-12-10-17;1-15-28-19(14-35-15)16-8-7-9-17(12-16)29-24(34)30-21-18(13-20(36-21)25(2,3)4)22(32)31-11-10-27-23(33)26(31,5)6;1-24(2,3)19-12-17(21(31)30-10-9-27-22(32)25(30,4)5)20(35-19)29-23(33)28-16-8-6-7-15(11-16)18-13-26-14-34-18;1-12-2-3-14(10-16(12)13-6-8-25-9-7-13)26-19(28)27-15-4-5-18(21)17(11-15)20(22,23)24/h6-10,19-21H,11-18H2,1-5H3,(H,34,41)(H2,36,37,42);7-12,15-16H,13-14H2,1-6H3,(H,30,35)(H2,31,32,36);6-10,13-15H,11-12H2,1-5H3,(H,30,35)(H2,31,32,36);6-11,14-16H,12-13H2,1-5H3,(H,29,34)(H2,30,31,35);6-12,15-16H,13-14H2,1-5H3,(H,29,34)(H2,30,31,35);7-9,12-14H,10-11H2,1-6H3,(H,27,33)(H2,29,30,34);6-8,11-14H,9-10H2,1-5H3,(H,27,32)(H2,28,29,33);2-11H,1H3,(H2,26,27,28)
InChIKeyYXURBNRNZJOJAS-UHFFFAOYSA-N
MW4116.51 g/mol
LogP42.21
Rot. Bonds35

About 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-fluoro-4-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-3-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-4-ylphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea

1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-fluoro-4-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-3-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-4-ylphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea (PubChem CID 162045330) has the molecular formula C213H242ClF4N39O25S8 and a molecular weight of 4116.51 g/mol. Its IUPAC name is 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-fluoro-4-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-3-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-4-ylphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-fluoro-4-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-3-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-4-ylphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea
PubChem CID162045330
Molecular FormulaC213H242ClF4N39O25S8
Molecular Weight4116.51 g/mol
Exact Mass4112.63
IUPAC Name1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-fluoro-4-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-3-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-4-ylphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea
SMILESCC(C)(C)c1cc(C(=O)N2CCNC(=O)C2(C)C)c(NC(=O)Nc2cccc(-c3ccc(OCCN4CCOCC4)nc3)c2)s1.CC(C)(C)c1cc(C(=O)N2CCNC(=O)C2(C)C)c(NC(=O)Nc2cccc(-c3cccnc3)c2)s1.CC(C)(C)c1cc(C(=O)N2CCNC(=O)C2(C)C)c(NC(=O)Nc2cccc(-c3ccnc(F)c3)c2)s1.CC(C)(C)c1cc(C(=O)N2CCNC(=O)C2(C)C)c(NC(=O)Nc2cccc(-c3ccncc3)c2)s1.CC(C)(C)c1cc(C(=O)N2CCNC(=O)C2(C)C)c(NC(=O)Nc2cccc(-c3cnco3)c2)s1.Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1-c1ccncc1.Cc1ccc(NC(=O)Nc2sc(C(C)(C)C)cc2C(=O)N2CCNC(=O)C2(C)C)cc1-c1ccncc1.Cc1nc(-c2cccc(NC(=O)Nc3sc(C(C)(C)C)cc3C(=O)N3CCNC(=O)C3(C)C)c2)cs1
InChIInChI=1S/C33H42N6O5S.C28H33N5O3S.C27H30FN5O3S.2C27H31N5O3S.C26H31N5O3S2.C25H29N5O4S.C20H15ClF3N3O/c1-32(2,3)26-20-25(29(40)39-12-11-34-30(41)33(39,4)5)28(45-26)37-31(42)36-24-8-6-7-22(19-24)23-9-10-27(35-21-23)44-18-15-38-13-16-43-17-14-38;1-17-7-8-19(15-20(17)18-9-11-29-12-10-18)31-26(36)32-23-21(16-22(37-23)27(2,3)4)24(34)33-14-13-30-25(35)28(33,5)6;1-26(2,3)20-15-19(23(34)33-12-11-30-24(35)27(33,4)5)22(37-20)32-25(36)31-18-8-6-7-16(13-18)17-9-10-29-21(28)14-17;1-26(2,3)21-15-20(23(33)32-13-12-29-24(34)27(32,4)5)22(36-21)31-25(35)30-19-10-6-8-17(14-19)18-9-7-11-28-16-18;1-26(2,3)21-16-20(23(33)32-14-13-29-24(34)27(32,4)5)22(36-21)31-25(35)30-19-8-6-7-18(15-19)17-9-11-28-12-10-17;1-15-28-19(14-35-15)16-8-7-9-17(12-16)29-24(34)30-21-18(13-20(36-21)25(2,3)4)22(32)31-11-10-27-23(33)26(31,5)6;1-24(2,3)19-12-17(21(31)30-10-9-27-22(32)25(30,4)5)20(35-19)29-23(33)28-16-8-6-7-15(11-16)18-13-26-14-34-18;1-12-2-3-14(10-16(12)13-6-8-25-9-7-13)26-19(28)27-15-4-5-18(21)17(11-15)20(22,23)24/h6-10,19-21H,11-18H2,1-5H3,(H,34,41)(H2,36,37,42);7-12,15-16H,13-14H2,1-6H3,(H,30,35)(H2,31,32,36);6-10,13-15H,11-12H2,1-5H3,(H,30,35)(H2,31,32,36);6-11,14-16H,12-13H2,1-5H3,(H,29,34)(H2,30,31,35);6-12,15-16H,13-14H2,1-5H3,(H,29,34)(H2,30,31,35);7-9,12-14H,10-11H2,1-6H3,(H,27,33)(H2,29,30,34);6-8,11-14H,9-10H2,1-5H3,(H,27,32)(H2,28,29,33);2-11H,1H3,(H2,26,27,28)
InChIKeyYXURBNRNZJOJAS-UHFFFAOYSA-N
XLogP42.21
TPSA812.87 Ų
H-Bond Donors23
H-Bond Acceptors42
Rotatable Bonds35
Heavy Atoms290
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004116.51
LogP ≤ 542.21
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1042

Analyze 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-fluoro-4-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-3-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-4-ylphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea with MolForge

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Related Compounds

1-[5-Tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-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-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]urea;1-[4-methyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]-3-[5-morpholin-4-yl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]urea;bis(1-[4-methyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]-3-[2-(trifluoromethyl)-4-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,3-oxazol-5-yl]urea);1-[4-methyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]-3-[2-(trifluoromethyl)-4-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,3-thiazol-5-yl]urea
CID 158526038
CID 159297514
CID 159297514
1-[5-Tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(oxan-4-yloxy)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-3-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-4-ylphenyl)urea
CID 157731690
1-[5-Tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(6-ethyl-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-(3-pyridin-2-ylpropoxy)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(4-methyl-5-oxo-1,4-diazepane-1-carbonyl)thiophen-2-yl]-3-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]urea
CID 158410531
1-[3-(4-Acetylpiperazine-1-carbonyl)-5-tert-butylthiophen-2-yl]-3-(4-methyl-3-pyridin-3-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(3-pyridin-2-ylpropoxy)-3-pyridinyl]phenyl]urea
CID 159028353
1-[5-Tert-butyl-3-[4-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-oxopiperazine-1-carbonyl]thiophen-2-yl]-3-(4-methyl-3-pyridin-3-ylphenyl)urea;1-[1-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrazol-4-yl]-3-(4-methyl-3-pyridin-3-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-chloro-3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-fluoro-3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]urea
CID 160596368
1-[5-Tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-fluoro-3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(3-morpholin-4-ylpropoxy)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(3-morpholin-4-ylpropoxy)-3-pyridinyl]phenyl]urea
CID 160832054
1-[5-Tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-chloro-3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-morpholin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(3-pyridin-2-ylpropoxy)-3-pyridinyl]phenyl]urea
CID 161320749

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-(2-fluoro-4-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-3-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-4-ylphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea?
The IUPAC name of 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-fluoro-4-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-3-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-4-ylphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea (CID 162045330) is 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-fluoro-4-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-3-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-4-ylphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea.
What is the SMILES notation for 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-fluoro-4-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-3-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-4-ylphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea?
The canonical SMILES for 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-fluoro-4-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-3-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-4-ylphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea is CC(C)(C)c1cc(C(=O)N2CCNC(=O)C2(C)C)c(NC(=O)Nc2cccc(-c3ccc(OCCN4CCOCC4)nc3)c2)s1.CC(C)(C)c1cc(C(=O)N2CCNC(=O)C2(C)C)c(NC(=O)Nc2cccc(-c3cccnc3)c2)s1.CC(C)(C)c1cc(C(=O)N2CCNC(=O)C2(C)C)c(NC(=O)Nc2cccc(-c3ccnc(F)c3)c2)s1.CC(C)(C)c1cc(C(=O)N2CCNC(=O)C2(C)C)c(NC(=O)Nc2cccc(-c3ccncc3)c2)s1.CC(C)(C)c1cc(C(=O)N2CCNC(=O)C2(C)C)c(NC(=O)Nc2cccc(-c3cnco3)c2)s1.Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1-c1ccncc1.Cc1ccc(NC(=O)Nc2sc(C(C)(C)C)cc2C(=O)N2CCNC(=O)C2(C)C)cc1-c1ccncc1.Cc1nc(-c2cccc(NC(=O)Nc3sc(C(C)(C)C)cc3C(=O)N3CCNC(=O)C3(C)C)c2)cs1.
What is the InChIKey of 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-fluoro-4-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-3-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-4-ylphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea?
The InChIKey is YXURBNRNZJOJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N6O5S.C28H33N5O3S.C27H30FN5O3S.2C27H31N5O3S.C26H31N5O3S2.C25H29N5O4S.C20H15ClF3N3O/c1-32(2,3)26-20-25(29(40)39-12-11-34-30(41)33(39,4)5)28(45-26)37-31(42)36-24-8-6-7-22(19-24)23-9-10-27(35-21-23)44-18-15-38-13-16-43-17-14-38;1-17-7-8-19(15-20(17)18-9-11-29-12-10-18)31-26(36)32-23-21(16-22(37-23)27(2,3)4)24(34)33-14-13-30-25(35)28(33,5)6;1-26(2,3)20-15-19(23(34)33-12-11-30-24(35)27(33,4)5)22(37-20)32-25(36)31-18-8-6-7-16(13-18)17-9-10-29-21(28)14-17;1-26(2,3)21-15-20(23(33)32-13-12-29-24(34)27(32,4)5)22(36-21)31-25(35)30-19-10-6-8-17(14-19)18-9-7-11-28-16-18;1-26(2,3)21-16-20(23(33)32-14-13-29-24(34)27(32,4)5)22(36-21)31-25(35)30-19-8-6-7-18(15-19)17-9-11-28-12-10-17;1-15-28-19(14-35-15)16-8-7-9-17(12-16)29-24(34)30-21-18(13-20(36-21)25(2,3)4)22(32)31-11-10-27-23(33)26(31,5)6;1-24(2,3)19-12-17(21(31)30-10-9-27-22(32)25(30,4)5)20(35-19)29-23(33)28-16-8-6-7-15(11-16)18-13-26-14-34-18;1-12-2-3-14(10-16(12)13-6-8-25-9-7-13)26-19(28)27-15-4-5-18(21)17(11-15)20(22,23)24/h6-10,19-21H,11-18H2,1-5H3,(H,34,41)(H2,36,37,42);7-12,15-16H,13-14H2,1-6H3,(H,30,35)(H2,31,32,36);6-10,13-15H,11-12H2,1-5H3,(H,30,35)(H2,31,32,36);6-11,14-16H,12-13H2,1-5H3,(H,29,34)(H2,30,31,35);6-12,15-16H,13-14H2,1-5H3,(H,29,34)(H2,30,31,35);7-9,12-14H,10-11H2,1-6H3,(H,27,33)(H2,29,30,34);6-8,11-14H,9-10H2,1-5H3,(H,27,32)(H2,28,29,33);2-11H,1H3,(H2,26,27,28).
What are the key properties of 1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-fluoro-4-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-3-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-4-ylphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea?
1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-fluoro-4-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-3-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-4-ylphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea has a molecular weight of 4116.51 g/mol, XLogP of 42.21, 35 rotatable bonds, 23 hydrogen bond donors, and 42 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-(2-fluoro-4-pyridinyl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-3-ylphenyl)urea;1-[5-tert-butyl-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(3-pyridin-4-ylphenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea is sourced from PubChem (CID 162045330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).