1-(2,4-difluorophenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea

C104H98F6N24O12S2 — CID 160514372

IUPAC1-(2,4-difluorophenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea
SMILESCCS(=O)(=O)c1ccc(NC(=O)Nc2cc(-c3nc(N4CCOCC4)[nH]c3-c3ccncc3)ccc2F)cc1.CS(=O)(=O)c1ccc(NC(=O)Nc2cc(-c3nc(N4CCOCC4)[nH]c3-c3ccncc3)ccc2F)cc1.Cc1cccc(NC(=O)Nc2cc(-c3nc(N4CCOCC4)[nH]c3-c3ccncc3)ccc2F)c1.O=C(Nc1ccc(F)cc1F)Nc1cc(-c2nc(N3CCOCC3)[nH]c2-c2ccncc2)ccc1F
InChIInChI=1S/C27H27FN6O4S.C26H25FN6O4S.C26H25FN6O2.C25H21F3N6O2/c1-2-39(36,37)21-6-4-20(5-7-21)30-27(35)31-23-17-19(3-8-22(23)28)25-24(18-9-11-29-12-10-18)32-26(33-25)34-13-15-38-16-14-34;1-38(35,36)20-5-3-19(4-6-20)29-26(34)30-22-16-18(2-7-21(22)27)24-23(17-8-10-28-11-9-17)31-25(32-24)33-12-14-37-15-13-33;1-17-3-2-4-20(15-17)29-26(34)30-22-16-19(5-6-21(22)27)24-23(18-7-9-28-10-8-18)31-25(32-24)33-11-13-35-14-12-33;26-17-2-4-20(19(28)14-17)30-25(35)31-21-13-16(1-3-18(21)27)23-22(15-5-7-29-8-6-15)32-24(33-23)34-9-11-36-12-10-34/h3-12,17H,2,13-16H2,1H3,(H,32,33)(H2,30,31,35);2-11,16H,12-15H2,1H3,(H,31,32)(H2,29,30,34);2-10,15-16H,11-14H2,1H3,(H,31,32)(H2,29,30,34);1-8,13-14H,9-12H2,(H,32,33)(H2,30,31,35)
InChIKeyQTLLMTLHRXLRTH-UHFFFAOYSA-N
MW2054.21 g/mol
LogP18.82
Rot. Bonds23

About 1-(2,4-difluorophenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea

1-(2,4-difluorophenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea (PubChem CID 160514372) has the molecular formula C104H98F6N24O12S2 and a molecular weight of 2054.21 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea
PubChem CID160514372
Molecular FormulaC104H98F6N24O12S2
Molecular Weight2054.21 g/mol
Exact Mass2052.71
IUPAC Name1-(2,4-difluorophenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea
SMILESCCS(=O)(=O)c1ccc(NC(=O)Nc2cc(-c3nc(N4CCOCC4)[nH]c3-c3ccncc3)ccc2F)cc1.CS(=O)(=O)c1ccc(NC(=O)Nc2cc(-c3nc(N4CCOCC4)[nH]c3-c3ccncc3)ccc2F)cc1.Cc1cccc(NC(=O)Nc2cc(-c3nc(N4CCOCC4)[nH]c3-c3ccncc3)ccc2F)c1.O=C(Nc1ccc(F)cc1F)Nc1cc(-c2nc(N3CCOCC3)[nH]c2-c2ccncc2)ccc1F
InChIInChI=1S/C27H27FN6O4S.C26H25FN6O4S.C26H25FN6O2.C25H21F3N6O2/c1-2-39(36,37)21-6-4-20(5-7-21)30-27(35)31-23-17-19(3-8-22(23)28)25-24(18-9-11-29-12-10-18)32-26(33-25)34-13-15-38-16-14-34;1-38(35,36)20-5-3-19(4-6-20)29-26(34)30-22-16-18(2-7-21(22)27)24-23(17-8-10-28-11-9-17)31-25(32-24)33-12-14-37-15-13-33;1-17-3-2-4-20(15-17)29-26(34)30-22-16-19(5-6-21(22)27)24-23(18-7-9-28-10-8-18)31-25(32-24)33-11-13-35-14-12-33;26-17-2-4-20(19(28)14-17)30-25(35)31-21-13-16(1-3-18(21)27)23-22(15-5-7-29-8-6-15)32-24(33-23)34-9-11-36-12-10-34/h3-12,17H,2,13-16H2,1H3,(H,32,33)(H2,30,31,35);2-11,16H,12-15H2,1H3,(H,31,32)(H2,29,30,34);2-10,15-16H,11-14H2,1H3,(H,31,32)(H2,29,30,34);1-8,13-14H,9-12H2,(H,32,33)(H2,30,31,35)
InChIKeyQTLLMTLHRXLRTH-UHFFFAOYSA-N
XLogP18.82
TPSA448.96 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002054.21
LogP ≤ 518.82
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze 1-(2,4-difluorophenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea with MolForge

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Related Compounds

3-(2,4-difluorophenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea
CID 159270046
1-(2,4-difluorophenyl)-3-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
CID 43992816
1-(2,4-difluorophenyl)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)urea
CID 91968666
4-[[4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-fluorophenyl]carbamoylamino]benzamide
CID 89181968
N-[4-[[2-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 68913288
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653
N-[4-[[4-[7-(5-ethylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-2-fluorophenyl]acetamide
CID 67514213
1-[4-(5-methylsulfanyl-4-morpholin-4-yl-6-pyridin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea
CID 53330207
N-[2-fluoro-4-[[4-[7-(furan-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67514333
N-[2-fluoro-4-[[4-[7-[5-(hydroxymethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 68913995
1-(2,4-difluorophenyl)-3-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]urea
CID 122324139
1-(3-methylphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 91967391

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea (CID 160514372) is 1-(2,4-difluorophenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea is CCS(=O)(=O)c1ccc(NC(=O)Nc2cc(-c3nc(N4CCOCC4)[nH]c3-c3ccncc3)ccc2F)cc1.CS(=O)(=O)c1ccc(NC(=O)Nc2cc(-c3nc(N4CCOCC4)[nH]c3-c3ccncc3)ccc2F)cc1.Cc1cccc(NC(=O)Nc2cc(-c3nc(N4CCOCC4)[nH]c3-c3ccncc3)ccc2F)c1.O=C(Nc1ccc(F)cc1F)Nc1cc(-c2nc(N3CCOCC3)[nH]c2-c2ccncc2)ccc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea?
The InChIKey is QTLLMTLHRXLRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O4S.C26H25FN6O4S.C26H25FN6O2.C25H21F3N6O2/c1-2-39(36,37)21-6-4-20(5-7-21)30-27(35)31-23-17-19(3-8-22(23)28)25-24(18-9-11-29-12-10-18)32-26(33-25)34-13-15-38-16-14-34;1-38(35,36)20-5-3-19(4-6-20)29-26(34)30-22-16-18(2-7-21(22)27)24-23(17-8-10-28-11-9-17)31-25(32-24)33-12-14-37-15-13-33;1-17-3-2-4-20(15-17)29-26(34)30-22-16-19(5-6-21(22)27)24-23(18-7-9-28-10-8-18)31-25(32-24)33-11-13-35-14-12-33;26-17-2-4-20(19(28)14-17)30-25(35)31-21-13-16(1-3-18(21)27)23-22(15-5-7-29-8-6-15)32-24(33-23)34-9-11-36-12-10-34/h3-12,17H,2,13-16H2,1H3,(H,32,33)(H2,30,31,35);2-11,16H,12-15H2,1H3,(H,31,32)(H2,29,30,34);2-10,15-16H,11-14H2,1H3,(H,31,32)(H2,29,30,34);1-8,13-14H,9-12H2,(H,32,33)(H2,30,31,35).
What are the key properties of 1-(2,4-difluorophenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea?
1-(2,4-difluorophenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea has a molecular weight of 2054.21 g/mol, XLogP of 18.82, 23 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-(4-ethylsulfonylphenyl)-3-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[2-fluoro-5-(2-morpholin-4-yl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylsulfonylphenyl)urea is sourced from PubChem (CID 160514372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).