3-[4-[3-(aminomethyl)phenyl]phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3,5-dimethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;2-[4-hydroxy-2-(2-methoxyethyl)-5-(4-methylphenyl)pyrazol-3-yl]-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one;3-[4-(3-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(3-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(4-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-ol

C229H209F3N46O13 — CID 160966747

IUPAC3-[4-[3-(aminomethyl)phenyl]phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3,5-dimethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;2-[4-hydroxy-2-(2-methoxyethyl)-5-(4-methylphenyl)pyrazol-3-yl]-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one;3-[4-(3-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(3-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(4-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-ol
SMILESCCc1cccc(-c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)c1.COCCCn1nc(-c2ccc(C)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3.COCCn1nc(-c2ccc(C)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3=O.COc1cccc(-c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)c1.Cc1cc(C)cc(-c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)c1.Cc1ccc(-c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)cc1.Cc1cccc(-c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)c1.Cn1nc(-c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3.Cn1nc(-c2ccc(-c3cccc(CN)c3)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3
InChIInChI=1S/2C27H25N5O.C26H20F3N5O.C26H24N6O.C26H23N5O2.2C26H23N5O.C23H25N5O2.C22H21N5O3/c1-15-8-16(2)10-19(9-15)17-4-6-18(7-5-17)24-26(33)25(32(3)31-24)27-29-22-11-20-13-28-14-21(20)12-23(22)30-27;1-3-16-5-4-6-19(11-16)17-7-9-18(10-8-17)24-26(33)25(32(2)31-24)27-29-22-12-20-14-28-15-21(20)13-23(22)30-27;1-34-23(25-31-20-10-17-12-30-13-18(17)11-21(20)32-25)24(35)22(33-34)15-7-5-14(6-8-15)16-3-2-4-19(9-16)26(27,28)29;1-32-24(26-29-21-10-19-13-28-14-20(19)11-22(21)30-26)25(33)23(31-32)17-7-5-16(6-8-17)18-4-2-3-15(9-18)12-27;1-31-24(26-28-21-11-18-13-27-14-19(18)12-22(21)29-26)25(32)23(30-31)16-8-6-15(7-9-16)17-4-3-5-20(10-17)33-2;1-15-3-5-16(6-4-15)17-7-9-18(10-8-17)23-25(32)24(31(2)30-23)26-28-21-11-19-13-27-14-20(19)12-22(21)29-26;1-15-4-3-5-18(10-15)16-6-8-17(9-7-16)23-25(32)24(31(2)30-23)26-28-21-11-19-13-27-14-20(19)12-22(21)29-26;1-14-4-6-15(7-5-14)20-22(29)21(28(27-20)8-3-9-30-2)23-25-18-10-16-12-24-13-17(16)11-19(18)26-23;1-12-3-5-13(6-4-12)18-20(28)19(27(26-18)7-8-30-2)21-24-16-9-14-11-23-22(29)15(14)10-17(16)25-21/h4-12,28,33H,13-14H2,1-3H3,(H,29,30);4-13,28,33H,3,14-15H2,1-2H3,(H,29,30);2-11,30,35H,12-13H2,1H3,(H,31,32);2-11,28,33H,12-14,27H2,1H3,(H,29,30);3-12,27,32H,13-14H2,1-2H3,(H,28,29);2*3-12,27,32H,13-14H2,1-2H3,(H,28,29);4-7,10-11,24,29H,3,8-9,12-13H2,1-2H3,(H,25,26);3-6,9-10,28H,7-8,11H2,1-2H3,(H,23,29)(H,24,25)
InChIKeySXSKXIPWHSZHSZ-UHFFFAOYSA-N
MW3870.49 g/mol
LogP41.27
Rot. Bonds35

About 3-[4-[3-(aminomethyl)phenyl]phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3,5-dimethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;2-[4-hydroxy-2-(2-methoxyethyl)-5-(4-methylphenyl)pyrazol-3-yl]-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one;3-[4-(3-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(3-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(4-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-ol

3-[4-[3-(aminomethyl)phenyl]phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3,5-dimethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;2-[4-hydroxy-2-(2-methoxyethyl)-5-(4-methylphenyl)pyrazol-3-yl]-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one;3-[4-(3-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(3-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(4-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-ol (PubChem CID 160966747) has the molecular formula C229H209F3N46O13 and a molecular weight of 3870.49 g/mol. Its IUPAC name is 3-[4-[3-(aminomethyl)phenyl]phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3,5-dimethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;2-[4-hydroxy-2-(2-methoxyethyl)-5-(4-methylphenyl)pyrazol-3-yl]-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one;3-[4-(3-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(3-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(4-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-ol.

Molecular Properties

Compound Name3-[4-[3-(aminomethyl)phenyl]phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3,5-dimethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;2-[4-hydroxy-2-(2-methoxyethyl)-5-(4-methylphenyl)pyrazol-3-yl]-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one;3-[4-(3-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(3-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(4-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-ol
PubChem CID160966747
Molecular FormulaC229H209F3N46O13
Molecular Weight3870.49 g/mol
Exact Mass3867.71
IUPAC Name3-[4-[3-(aminomethyl)phenyl]phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3,5-dimethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;2-[4-hydroxy-2-(2-methoxyethyl)-5-(4-methylphenyl)pyrazol-3-yl]-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one;3-[4-(3-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(3-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(4-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-ol
SMILESCCc1cccc(-c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)c1.COCCCn1nc(-c2ccc(C)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3.COCCn1nc(-c2ccc(C)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3=O.COc1cccc(-c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)c1.Cc1cc(C)cc(-c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)c1.Cc1ccc(-c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)cc1.Cc1cccc(-c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)c1.Cn1nc(-c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3.Cn1nc(-c2ccc(-c3cccc(CN)c3)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3
InChIInChI=1S/2C27H25N5O.C26H20F3N5O.C26H24N6O.C26H23N5O2.2C26H23N5O.C23H25N5O2.C22H21N5O3/c1-15-8-16(2)10-19(9-15)17-4-6-18(7-5-17)24-26(33)25(32(3)31-24)27-29-22-11-20-13-28-14-21(20)12-23(22)30-27;1-3-16-5-4-6-19(11-16)17-7-9-18(10-8-17)24-26(33)25(32(2)31-24)27-29-22-12-20-14-28-15-21(20)13-23(22)30-27;1-34-23(25-31-20-10-17-12-30-13-18(17)11-21(20)32-25)24(35)22(33-34)15-7-5-14(6-8-15)16-3-2-4-19(9-16)26(27,28)29;1-32-24(26-29-21-10-19-13-28-14-20(19)11-22(21)30-26)25(33)23(31-32)17-7-5-16(6-8-17)18-4-2-3-15(9-18)12-27;1-31-24(26-28-21-11-18-13-27-14-19(18)12-22(21)29-26)25(32)23(30-31)16-8-6-15(7-9-16)17-4-3-5-20(10-17)33-2;1-15-3-5-16(6-4-15)17-7-9-18(10-8-17)23-25(32)24(31(2)30-23)26-28-21-11-19-13-27-14-20(19)12-22(21)29-26;1-15-4-3-5-18(10-15)16-6-8-17(9-7-16)23-25(32)24(31(2)30-23)26-28-21-11-19-13-27-14-20(19)12-22(21)29-26;1-14-4-6-15(7-5-14)20-22(29)21(28(27-20)8-3-9-30-2)23-25-18-10-16-12-24-13-17(16)11-19(18)26-23;1-12-3-5-13(6-4-12)18-20(28)19(27(26-18)7-8-30-2)21-24-16-9-14-11-23-22(29)15(14)10-17(16)25-21/h4-12,28,33H,13-14H2,1-3H3,(H,29,30);4-13,28,33H,3,14-15H2,1-2H3,(H,29,30);2-11,30,35H,12-13H2,1H3,(H,31,32);2-11,28,33H,12-14,27H2,1H3,(H,29,30);3-12,27,32H,13-14H2,1-2H3,(H,28,29);2*3-12,27,32H,13-14H2,1-2H3,(H,28,29);4-7,10-11,24,29H,3,8-9,12-13H2,1-2H3,(H,25,26);3-6,9-10,28H,7-8,11H2,1-2H3,(H,23,29)(H,24,25)
InChIKeySXSKXIPWHSZHSZ-UHFFFAOYSA-N
XLogP41.27
TPSA779.62 Ų
H-Bond Donors28
H-Bond Acceptors49
Rotatable Bonds35
Heavy Atoms291
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003870.49
LogP ≤ 541.27
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1049

Analyze 3-[4-[3-(aminomethyl)phenyl]phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3,5-dimethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;2-[4-hydroxy-2-(2-methoxyethyl)-5-(4-methylphenyl)pyrazol-3-yl]-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one;3-[4-(3-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(3-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(4-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(aminomethyl)phenyl]phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3,5-dimethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;2-[4-hydroxy-2-(2-methoxyethyl)-5-(4-methylphenyl)pyrazol-3-yl]-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one;3-[4-(3-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(3-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(4-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-ol?
The IUPAC name of 3-[4-[3-(aminomethyl)phenyl]phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3,5-dimethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;2-[4-hydroxy-2-(2-methoxyethyl)-5-(4-methylphenyl)pyrazol-3-yl]-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one;3-[4-(3-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(3-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(4-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-ol (CID 160966747) is 3-[4-[3-(aminomethyl)phenyl]phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3,5-dimethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;2-[4-hydroxy-2-(2-methoxyethyl)-5-(4-methylphenyl)pyrazol-3-yl]-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one;3-[4-(3-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(3-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(4-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-ol.
What is the SMILES notation for 3-[4-[3-(aminomethyl)phenyl]phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3,5-dimethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;2-[4-hydroxy-2-(2-methoxyethyl)-5-(4-methylphenyl)pyrazol-3-yl]-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one;3-[4-(3-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(3-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(4-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-ol?
The canonical SMILES for 3-[4-[3-(aminomethyl)phenyl]phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3,5-dimethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;2-[4-hydroxy-2-(2-methoxyethyl)-5-(4-methylphenyl)pyrazol-3-yl]-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one;3-[4-(3-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(3-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(4-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-ol is CCc1cccc(-c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)c1.COCCCn1nc(-c2ccc(C)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3.COCCn1nc(-c2ccc(C)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3=O.COc1cccc(-c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)c1.Cc1cc(C)cc(-c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)c1.Cc1ccc(-c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)cc1.Cc1cccc(-c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)c1.Cn1nc(-c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3.Cn1nc(-c2ccc(-c3cccc(CN)c3)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3.
What is the InChIKey of 3-[4-[3-(aminomethyl)phenyl]phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3,5-dimethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;2-[4-hydroxy-2-(2-methoxyethyl)-5-(4-methylphenyl)pyrazol-3-yl]-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one;3-[4-(3-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(3-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(4-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-ol?
The InChIKey is SXSKXIPWHSZHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H25N5O.C26H20F3N5O.C26H24N6O.C26H23N5O2.2C26H23N5O.C23H25N5O2.C22H21N5O3/c1-15-8-16(2)10-19(9-15)17-4-6-18(7-5-17)24-26(33)25(32(3)31-24)27-29-22-11-20-13-28-14-21(20)12-23(22)30-27;1-3-16-5-4-6-19(11-16)17-7-9-18(10-8-17)24-26(33)25(32(2)31-24)27-29-22-12-20-14-28-15-21(20)13-23(22)30-27;1-34-23(25-31-20-10-17-12-30-13-18(17)11-21(20)32-25)24(35)22(33-34)15-7-5-14(6-8-15)16-3-2-4-19(9-16)26(27,28)29;1-32-24(26-29-21-10-19-13-28-14-20(19)11-22(21)30-26)25(33)23(31-32)17-7-5-16(6-8-17)18-4-2-3-15(9-18)12-27;1-31-24(26-28-21-11-18-13-27-14-19(18)12-22(21)29-26)25(32)23(30-31)16-8-6-15(7-9-16)17-4-3-5-20(10-17)33-2;1-15-3-5-16(6-4-15)17-7-9-18(10-8-17)23-25(32)24(31(2)30-23)26-28-21-11-19-13-27-14-20(19)12-22(21)29-26;1-15-4-3-5-18(10-15)16-6-8-17(9-7-16)23-25(32)24(31(2)30-23)26-28-21-11-19-13-27-14-20(19)12-22(21)29-26;1-14-4-6-15(7-5-14)20-22(29)21(28(27-20)8-3-9-30-2)23-25-18-10-16-12-24-13-17(16)11-19(18)26-23;1-12-3-5-13(6-4-12)18-20(28)19(27(26-18)7-8-30-2)21-24-16-9-14-11-23-22(29)15(14)10-17(16)25-21/h4-12,28,33H,13-14H2,1-3H3,(H,29,30);4-13,28,33H,3,14-15H2,1-2H3,(H,29,30);2-11,30,35H,12-13H2,1H3,(H,31,32);2-11,28,33H,12-14,27H2,1H3,(H,29,30);3-12,27,32H,13-14H2,1-2H3,(H,28,29);2*3-12,27,32H,13-14H2,1-2H3,(H,28,29);4-7,10-11,24,29H,3,8-9,12-13H2,1-2H3,(H,25,26);3-6,9-10,28H,7-8,11H2,1-2H3,(H,23,29)(H,24,25).
What are the key properties of 3-[4-[3-(aminomethyl)phenyl]phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3,5-dimethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;2-[4-hydroxy-2-(2-methoxyethyl)-5-(4-methylphenyl)pyrazol-3-yl]-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one;3-[4-(3-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(3-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(4-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-ol?
3-[4-[3-(aminomethyl)phenyl]phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3,5-dimethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;2-[4-hydroxy-2-(2-methoxyethyl)-5-(4-methylphenyl)pyrazol-3-yl]-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one;3-[4-(3-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(3-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(4-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-ol has a molecular weight of 3870.49 g/mol, XLogP of 41.27, 35 rotatable bonds, 28 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(aminomethyl)phenyl]phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3,5-dimethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;2-[4-hydroxy-2-(2-methoxyethyl)-5-(4-methylphenyl)pyrazol-3-yl]-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one;3-[4-(3-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-(3-methoxypropyl)-3-(4-methylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(3-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(4-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-ol is sourced from PubChem (CID 160966747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).