1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(2,3-dimethylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-propan-2-ylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

C136H103ClF14N42O16 — CID 159463405

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(2,3-dimethylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-propan-2-ylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCC(C)c1cccc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)c1.COc1cccc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)c1.Cc1cccc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)c1C.O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(Oc2ncnc3[nH]ncc23)c(F)c1.O=C(Nc1ccc(Oc2ncnc3[nH]ncc23)c(F)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1ccc(Oc2ncnc3[nH]ncc23)cc1)Nc1cccc(C(F)(F)F)c1.O=C(Nc1ccc(Oc2ncnc3[nH]ncc23)cc1)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C21H20N6O2.C20H18N6O2.C19H11ClF4N6O2.C19H12F4N6O2.C19H13F3N6O3.C19H13F3N6O2.C19H16N6O3/c1-13(2)14-4-3-5-16(10-14)26-21(28)25-15-6-8-17(9-7-15)29-20-18-11-24-27-19(18)22-12-23-20;1-12-4-3-5-17(13(12)2)25-20(27)24-14-6-8-15(9-7-14)28-19-16-10-23-26-18(16)21-11-22-19;20-13-3-1-9(5-12(13)19(22,23)24)28-18(31)29-10-2-4-15(14(21)6-10)32-17-11-7-27-30-16(11)25-8-26-17;20-14-7-12(28-18(30)27-11-3-1-10(2-4-11)19(21,22)23)5-6-15(14)31-17-13-8-26-29-16(13)24-9-25-17;20-19(21,22)31-14-3-1-2-12(8-14)27-18(29)26-11-4-6-13(7-5-11)30-17-15-9-25-28-16(15)23-10-24-17;20-19(21,22)11-2-1-3-13(8-11)27-18(29)26-12-4-6-14(7-5-12)30-17-15-9-25-28-16(15)23-10-24-17;1-27-15-4-2-3-13(9-15)24-19(26)23-12-5-7-14(8-6-12)28-18-16-10-22-25-17(16)20-11-21-18/h3-13H,1-2H3,(H2,25,26,28)(H,22,23,24,27);3-11H,1-2H3,(H2,24,25,27)(H,21,22,23,26);1-8H,(H2,28,29,31)(H,25,26,27,30);1-9H,(H2,27,28,30)(H,24,25,26,29);1-10H,(H2,26,27,29)(H,23,24,25,28);1-10H,(H2,26,27,29)(H,23,24,25,28);2-11H,1H3,(H2,23,24,26)(H,20,21,22,25)
InChIKeyLUWJECJQWZRMTA-UHFFFAOYSA-N
MW2883.02 g/mol
LogP33.16
Rot. Bonds31

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(2,3-dimethylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-propan-2-ylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(2,3-dimethylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-propan-2-ylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 159463405) has the molecular formula C136H103ClF14N42O16 and a molecular weight of 2883.02 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(2,3-dimethylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-propan-2-ylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(2,3-dimethylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-propan-2-ylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID159463405
Molecular FormulaC136H103ClF14N42O16
Molecular Weight2883.02 g/mol
Exact Mass2880.80
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(2,3-dimethylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-propan-2-ylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCC(C)c1cccc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)c1.COc1cccc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)c1.Cc1cccc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)c1C.O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(Oc2ncnc3[nH]ncc23)c(F)c1.O=C(Nc1ccc(Oc2ncnc3[nH]ncc23)c(F)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1ccc(Oc2ncnc3[nH]ncc23)cc1)Nc1cccc(C(F)(F)F)c1.O=C(Nc1ccc(Oc2ncnc3[nH]ncc23)cc1)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C21H20N6O2.C20H18N6O2.C19H11ClF4N6O2.C19H12F4N6O2.C19H13F3N6O3.C19H13F3N6O2.C19H16N6O3/c1-13(2)14-4-3-5-16(10-14)26-21(28)25-15-6-8-17(9-7-15)29-20-18-11-24-27-19(18)22-12-23-20;1-12-4-3-5-17(13(12)2)25-20(27)24-14-6-8-15(9-7-14)28-19-16-10-23-26-18(16)21-11-22-19;20-13-3-1-9(5-12(13)19(22,23)24)28-18(31)29-10-2-4-15(14(21)6-10)32-17-11-7-27-30-16(11)25-8-26-17;20-14-7-12(28-18(30)27-11-3-1-10(2-4-11)19(21,22)23)5-6-15(14)31-17-13-8-26-29-16(13)24-9-25-17;20-19(21,22)31-14-3-1-2-12(8-14)27-18(29)26-11-4-6-13(7-5-11)30-17-15-9-25-28-16(15)23-10-24-17;20-19(21,22)11-2-1-3-13(8-11)27-18(29)26-12-4-6-14(7-5-12)30-17-15-9-25-28-16(15)23-10-24-17;1-27-15-4-2-3-13(9-15)24-19(26)23-12-5-7-14(8-6-12)28-18-16-10-22-25-17(16)20-11-21-18/h3-13H,1-2H3,(H2,25,26,28)(H,22,23,24,27);3-11H,1-2H3,(H2,24,25,27)(H,21,22,23,26);1-8H,(H2,28,29,31)(H,25,26,27,30);1-9H,(H2,27,28,30)(H,24,25,26,29);1-10H,(H2,26,27,29)(H,23,24,25,28);1-10H,(H2,26,27,29)(H,23,24,25,28);2-11H,1H3,(H2,23,24,26)(H,20,21,22,25)
InChIKeyLUWJECJQWZRMTA-UHFFFAOYSA-N
XLogP33.16
TPSA752.20 Ų
H-Bond Donors21
H-Bond Acceptors37
Rotatable Bonds31
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002883.02
LogP ≤ 533.16
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1037

Analyze 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(2,3-dimethylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-propan-2-ylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;bis(N,N-dimethyl-4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine);5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-fluoroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;bis(5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine
CID 157853661
1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(3-ethoxyphenyl)urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-(4-phenylphenyl)urea
CID 159800001
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;1-(4-methoxyphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea;bis(1-(1-phenylethyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]urea);1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylmethyl)phenyl]-3-(2,4,6-trimethylphenyl)urea
CID 159922458
2-(4-chlorophenyl)-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]acetamide;1-[2-chloro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;3-fluoro-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]benzamide;1-phenyl-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]thiourea;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-4-(trifluoromethyl)benzamide;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 160146336
2-(2,4-dichlorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-(2,3-dimethylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-(2-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-pyridin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 160230864
tert-butyl N-[3-[6-(1-methyltetrazol-5-yl)pyrimidin-4-yl]oxyphenyl]carbamate;tert-butyl N-[3-[6-(2-methyltetrazol-5-yl)pyrimidin-4-yl]oxyphenyl]carbamate;tert-butyl N-[3-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]oxyphenyl]carbamate;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[6-(2-methyltetrazol-5-yl)pyrimidin-4-yl]oxyphenyl]urea;3-[6-(1-methyltetrazol-5-yl)pyrimidin-4-yl]oxyaniline;3-[6-(2-methyltetrazol-5-yl)pyrimidin-4-yl]oxyaniline
CID 160565221
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[2-chloro-4-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-fluorophenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(4-fluorophenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[2-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-(4-morpholin-4-ylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-phenyl-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea
CID 161759987
(4Z)-4-[[5-[4-chloro-3-(trifluoromethyl)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-[1-(2,6-dimethylmorpholin-4-yl)ethyl]anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
CID 162169435
N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine
CID 158096837
N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine
CID 158704764
N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine
CID 159771479
N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine
CID 160760188

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(2,3-dimethylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-propan-2-ylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(2,3-dimethylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-propan-2-ylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 159463405) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(2,3-dimethylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-propan-2-ylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(2,3-dimethylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-propan-2-ylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(2,3-dimethylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-propan-2-ylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea is CC(C)c1cccc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)c1.COc1cccc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)c1.Cc1cccc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)c1C.O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(Oc2ncnc3[nH]ncc23)c(F)c1.O=C(Nc1ccc(Oc2ncnc3[nH]ncc23)c(F)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1ccc(Oc2ncnc3[nH]ncc23)cc1)Nc1cccc(C(F)(F)F)c1.O=C(Nc1ccc(Oc2ncnc3[nH]ncc23)cc1)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(2,3-dimethylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-propan-2-ylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is LUWJECJQWZRMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2.C20H18N6O2.C19H11ClF4N6O2.C19H12F4N6O2.C19H13F3N6O3.C19H13F3N6O2.C19H16N6O3/c1-13(2)14-4-3-5-16(10-14)26-21(28)25-15-6-8-17(9-7-15)29-20-18-11-24-27-19(18)22-12-23-20;1-12-4-3-5-17(13(12)2)25-20(27)24-14-6-8-15(9-7-14)28-19-16-10-23-26-18(16)21-11-22-19;20-13-3-1-9(5-12(13)19(22,23)24)28-18(31)29-10-2-4-15(14(21)6-10)32-17-11-7-27-30-16(11)25-8-26-17;20-14-7-12(28-18(30)27-11-3-1-10(2-4-11)19(21,22)23)5-6-15(14)31-17-13-8-26-29-16(13)24-9-25-17;20-19(21,22)31-14-3-1-2-12(8-14)27-18(29)26-11-4-6-13(7-5-11)30-17-15-9-25-28-16(15)23-10-24-17;20-19(21,22)11-2-1-3-13(8-11)27-18(29)26-12-4-6-14(7-5-12)30-17-15-9-25-28-16(15)23-10-24-17;1-27-15-4-2-3-13(9-15)24-19(26)23-12-5-7-14(8-6-12)28-18-16-10-22-25-17(16)20-11-21-18/h3-13H,1-2H3,(H2,25,26,28)(H,22,23,24,27);3-11H,1-2H3,(H2,24,25,27)(H,21,22,23,26);1-8H,(H2,28,29,31)(H,25,26,27,30);1-9H,(H2,27,28,30)(H,24,25,26,29);1-10H,(H2,26,27,29)(H,23,24,25,28);1-10H,(H2,26,27,29)(H,23,24,25,28);2-11H,1H3,(H2,23,24,26)(H,20,21,22,25).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(2,3-dimethylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-propan-2-ylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(2,3-dimethylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-propan-2-ylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 2883.02 g/mol, XLogP of 33.16, 31 rotatable bonds, 21 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(2,3-dimethylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-propan-2-ylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 159463405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).