1-(6-chloro-3-pyridinyl)-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-methoxy-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]-3-(trifluoromethyl)phenyl]urea;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]butan-2-one;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]pentan-2-one;1-pyridin-2-yl-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one

C189H152Cl5F17N36O9 — CID 160842052

IUPAC1-(6-chloro-3-pyridinyl)-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-methoxy-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]-3-(trifluoromethyl)phenyl]urea;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]butan-2-one;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]pentan-2-one;1-pyridin-2-yl-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one
SMILESCC(CC(=O)Cc1cccc(Cc2nccc(-c3ccc[nH]3)n2)c1)c1ccccn1.COc1cc(Cc2nccc(-c3ccc[nH]3)n2)ccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(CCc1ccccn1)Cc1cccc(Cc2nccc(-c3ccc[nH]3)n2)c1.O=C(Cc1ccc(Cl)nc1)Cc1cccc(Cc2nccc(-c3ccc[nH]3)n2)c1.O=C(Cc1cccc(Cc2nccc(-c3ccc[nH]3)n2)c1)Cc1ccccn1.O=C(Nc1ccc(Cc2nccc(-c3ccc[nH]3)n2)c(F)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(Cc2nccc(-c3ccc[nH]3)n2)c(C(F)(F)F)c1.O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(Cc2nccc(-c3ccc[nH]3)n2)cc1F
InChIInChI=1S/C25H24N4O.C24H16ClF6N5O.C24H19ClF3N5O2.C24H22N4O.2C23H16ClF4N5O.C23H19ClN4O.C23H20N4O/c1-18(22-8-2-3-11-26-22)14-21(30)16-19-6-4-7-20(15-19)17-25-28-13-10-24(29-25)23-9-5-12-27-23;25-18-6-5-15(12-17(18)24(29,30)31)35-22(37)34-14-4-3-13(16(11-14)23(26,27)28)10-21-33-9-7-20(36-21)19-2-1-8-32-19;1-35-21-11-14(12-22-30-10-8-19(32-22)18-3-2-9-29-18)4-7-20(21)33-23(34)31-15-5-6-17(25)16(13-15)24(26,27)28;29-21(10-9-20-7-1-2-12-25-20)16-18-5-3-6-19(15-18)17-24-27-14-11-23(28-24)22-8-4-13-26-22;24-16-5-4-14(12-15(16)23(26,27)28)31-22(34)33-18-6-3-13(10-17(18)25)11-21-30-9-7-20(32-21)19-2-1-8-29-19;24-17-6-5-14(11-16(17)23(26,27)28)31-22(34)32-15-4-3-13(18(25)12-15)10-21-30-9-7-20(33-21)19-2-1-8-29-19;24-22-7-6-18(15-27-22)13-19(29)12-16-3-1-4-17(11-16)14-23-26-10-8-21(28-23)20-5-2-9-25-20;28-20(16-19-7-1-2-10-24-19)14-17-5-3-6-18(13-17)15-23-26-12-9-22(27-23)21-8-4-11-25-21/h2-13,15,18,27H,14,16-17H2,1H3;1-9,11-12,32H,10H2,(H2,34,35,37);2-11,13,29H,12H2,1H3,(H2,31,33,34);1-8,11-15,26H,9-10,16-17H2;1-10,12,29H,11H2,(H2,31,33,34);1-9,11-12,29H,10H2,(H2,31,32,34);1-11,15,25H,12-14H2;1-13,25H,14-16H2
InChIKeySIDTZQUIVJKJQU-UHFFFAOYSA-N
MW3571.77 g/mol
LogP44.06
Rot. Bonds51

About 1-(6-chloro-3-pyridinyl)-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-methoxy-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]-3-(trifluoromethyl)phenyl]urea;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]butan-2-one;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]pentan-2-one;1-pyridin-2-yl-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one

1-(6-chloro-3-pyridinyl)-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-methoxy-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]-3-(trifluoromethyl)phenyl]urea;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]butan-2-one;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]pentan-2-one;1-pyridin-2-yl-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one (PubChem CID 160842052) has the molecular formula C189H152Cl5F17N36O9 and a molecular weight of 3571.77 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-methoxy-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]-3-(trifluoromethyl)phenyl]urea;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]butan-2-one;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]pentan-2-one;1-pyridin-2-yl-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-methoxy-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]-3-(trifluoromethyl)phenyl]urea;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]butan-2-one;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]pentan-2-one;1-pyridin-2-yl-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one
PubChem CID160842052
Molecular FormulaC189H152Cl5F17N36O9
Molecular Weight3571.77 g/mol
Exact Mass3567.07
IUPAC Name1-(6-chloro-3-pyridinyl)-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-methoxy-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]-3-(trifluoromethyl)phenyl]urea;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]butan-2-one;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]pentan-2-one;1-pyridin-2-yl-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one
SMILESCC(CC(=O)Cc1cccc(Cc2nccc(-c3ccc[nH]3)n2)c1)c1ccccn1.COc1cc(Cc2nccc(-c3ccc[nH]3)n2)ccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(CCc1ccccn1)Cc1cccc(Cc2nccc(-c3ccc[nH]3)n2)c1.O=C(Cc1ccc(Cl)nc1)Cc1cccc(Cc2nccc(-c3ccc[nH]3)n2)c1.O=C(Cc1cccc(Cc2nccc(-c3ccc[nH]3)n2)c1)Cc1ccccn1.O=C(Nc1ccc(Cc2nccc(-c3ccc[nH]3)n2)c(F)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(Cc2nccc(-c3ccc[nH]3)n2)c(C(F)(F)F)c1.O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(Cc2nccc(-c3ccc[nH]3)n2)cc1F
InChIInChI=1S/C25H24N4O.C24H16ClF6N5O.C24H19ClF3N5O2.C24H22N4O.2C23H16ClF4N5O.C23H19ClN4O.C23H20N4O/c1-18(22-8-2-3-11-26-22)14-21(30)16-19-6-4-7-20(15-19)17-25-28-13-10-24(29-25)23-9-5-12-27-23;25-18-6-5-15(12-17(18)24(29,30)31)35-22(37)34-14-4-3-13(16(11-14)23(26,27)28)10-21-33-9-7-20(36-21)19-2-1-8-32-19;1-35-21-11-14(12-22-30-10-8-19(32-22)18-3-2-9-29-18)4-7-20(21)33-23(34)31-15-5-6-17(25)16(13-15)24(26,27)28;29-21(10-9-20-7-1-2-12-25-20)16-18-5-3-6-19(15-18)17-24-27-14-11-23(28-24)22-8-4-13-26-22;24-16-5-4-14(12-15(16)23(26,27)28)31-22(34)33-18-6-3-13(10-17(18)25)11-21-30-9-7-20(32-21)19-2-1-8-29-19;24-17-6-5-14(11-16(17)23(26,27)28)31-22(34)32-15-4-3-13(18(25)12-15)10-21-30-9-7-20(33-21)19-2-1-8-29-19;24-22-7-6-18(15-27-22)13-19(29)12-16-3-1-4-17(11-16)14-23-26-10-8-21(28-23)20-5-2-9-25-20;28-20(16-19-7-1-2-10-24-19)14-17-5-3-6-18(13-17)15-23-26-12-9-22(27-23)21-8-4-11-25-21/h2-13,15,18,27H,14,16-17H2,1H3;1-9,11-12,32H,10H2,(H2,34,35,37);2-11,13,29H,12H2,1H3,(H2,31,33,34);1-8,11-15,26H,9-10,16-17H2;1-10,12,29H,11H2,(H2,31,33,34);1-9,11-12,29H,10H2,(H2,31,32,34);1-11,15,25H,12-14H2;1-13,25H,14-16H2
InChIKeySIDTZQUIVJKJQU-UHFFFAOYSA-N
XLogP44.06
TPSA626.15 Ų
H-Bond Donors16
H-Bond Acceptors29
Rotatable Bonds51
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003571.77
LogP ≤ 544.06
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(6-chloro-3-pyridinyl)-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-methoxy-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]-3-(trifluoromethyl)phenyl]urea;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]butan-2-one;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]pentan-2-one;1-pyridin-2-yl-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one with MolForge

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Related Compounds

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea
CID 160842055
1-[4-[(2-butan-2-yl-4-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 167119734
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-2-ylbutanamide
CID 141052646
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[[2-(1H-imidazol-5-yl)-4-pyridinyl]oxy]phenyl]urea
CID 71467835
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-[[4-methyl-6-(1H-pyrazol-5-ylmethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]urea
CID 141443852
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 2101244
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
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1-(3-chlorophenyl)-3-[4-[[4-[(3-chlorophenyl)carbamoylamino]-3-methoxyphenyl]methyl]-2-methoxyphenyl]urea
CID 2252121
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-3-methylpyridine-2-carboxamide
CID 68810251
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]phenoxy]-N-methylpyridine-2-carboxamide
CID 125337923
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]urea
CID 59765093
1-(5-chloro-2-methoxyphenyl)-4-pyridin-2-ylbutan-2-one
CID 105090970

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-methoxy-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]-3-(trifluoromethyl)phenyl]urea;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]butan-2-one;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]pentan-2-one;1-pyridin-2-yl-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-methoxy-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]-3-(trifluoromethyl)phenyl]urea;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]butan-2-one;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]pentan-2-one;1-pyridin-2-yl-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one (CID 160842052) is 1-(6-chloro-3-pyridinyl)-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-methoxy-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]-3-(trifluoromethyl)phenyl]urea;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]butan-2-one;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]pentan-2-one;1-pyridin-2-yl-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-methoxy-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]-3-(trifluoromethyl)phenyl]urea;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]butan-2-one;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]pentan-2-one;1-pyridin-2-yl-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-methoxy-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]-3-(trifluoromethyl)phenyl]urea;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]butan-2-one;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]pentan-2-one;1-pyridin-2-yl-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one is CC(CC(=O)Cc1cccc(Cc2nccc(-c3ccc[nH]3)n2)c1)c1ccccn1.COc1cc(Cc2nccc(-c3ccc[nH]3)n2)ccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(CCc1ccccn1)Cc1cccc(Cc2nccc(-c3ccc[nH]3)n2)c1.O=C(Cc1ccc(Cl)nc1)Cc1cccc(Cc2nccc(-c3ccc[nH]3)n2)c1.O=C(Cc1cccc(Cc2nccc(-c3ccc[nH]3)n2)c1)Cc1ccccn1.O=C(Nc1ccc(Cc2nccc(-c3ccc[nH]3)n2)c(F)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(Cc2nccc(-c3ccc[nH]3)n2)c(C(F)(F)F)c1.O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(Cc2nccc(-c3ccc[nH]3)n2)cc1F.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-methoxy-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]-3-(trifluoromethyl)phenyl]urea;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]butan-2-one;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]pentan-2-one;1-pyridin-2-yl-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one?
The InChIKey is SIDTZQUIVJKJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O.C24H16ClF6N5O.C24H19ClF3N5O2.C24H22N4O.2C23H16ClF4N5O.C23H19ClN4O.C23H20N4O/c1-18(22-8-2-3-11-26-22)14-21(30)16-19-6-4-7-20(15-19)17-25-28-13-10-24(29-25)23-9-5-12-27-23;25-18-6-5-15(12-17(18)24(29,30)31)35-22(37)34-14-4-3-13(16(11-14)23(26,27)28)10-21-33-9-7-20(36-21)19-2-1-8-32-19;1-35-21-11-14(12-22-30-10-8-19(32-22)18-3-2-9-29-18)4-7-20(21)33-23(34)31-15-5-6-17(25)16(13-15)24(26,27)28;29-21(10-9-20-7-1-2-12-25-20)16-18-5-3-6-19(15-18)17-24-27-14-11-23(28-24)22-8-4-13-26-22;24-16-5-4-14(12-15(16)23(26,27)28)31-22(34)33-18-6-3-13(10-17(18)25)11-21-30-9-7-20(32-21)19-2-1-8-29-19;24-17-6-5-14(11-16(17)23(26,27)28)31-22(34)32-15-4-3-13(18(25)12-15)10-21-30-9-7-20(33-21)19-2-1-8-29-19;24-22-7-6-18(15-27-22)13-19(29)12-16-3-1-4-17(11-16)14-23-26-10-8-21(28-23)20-5-2-9-25-20;28-20(16-19-7-1-2-10-24-19)14-17-5-3-6-18(13-17)15-23-26-12-9-22(27-23)21-8-4-11-25-21/h2-13,15,18,27H,14,16-17H2,1H3;1-9,11-12,32H,10H2,(H2,34,35,37);2-11,13,29H,12H2,1H3,(H2,31,33,34);1-8,11-15,26H,9-10,16-17H2;1-10,12,29H,11H2,(H2,31,33,34);1-9,11-12,29H,10H2,(H2,31,32,34);1-11,15,25H,12-14H2;1-13,25H,14-16H2.
What are the key properties of 1-(6-chloro-3-pyridinyl)-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-methoxy-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]-3-(trifluoromethyl)phenyl]urea;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]butan-2-one;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]pentan-2-one;1-pyridin-2-yl-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one?
1-(6-chloro-3-pyridinyl)-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-methoxy-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]-3-(trifluoromethyl)phenyl]urea;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]butan-2-one;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]pentan-2-one;1-pyridin-2-yl-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one has a molecular weight of 3571.77 g/mol, XLogP of 44.06, 51 rotatable bonds, 16 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-methoxy-4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]-3-(trifluoromethyl)phenyl]urea;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]butan-2-one;4-pyridin-2-yl-1-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]pentan-2-one;1-pyridin-2-yl-3-[3-[[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]methyl]phenyl]propan-2-one is sourced from PubChem (CID 160842052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).