bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-2,2,2-trifluoroethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine

C139H181F6N35O3 — CID 160636887

IUPACbis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-2,2,2-trifluoroethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine
SMILESCc1cc(-c2cn(C34CC(C3)C4)c(C(C)O)n2)cnc1N.Cc1cc(-c2cn(C34CC(C3)C4)c(C(C)O)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCN(C)CC5)(C3)C4)c(C(C)C)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCN(C)CC5)(C3)C4)c(C3CC3)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCN(C)CC5)(C3)C4)c(CC3CC3)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCN(C)CC5)(C3)C4)c(CC3CC3)n2)cnc1N.Cc1ncc(-c2cn(C34CC(C3)C4)c(C(O)C(F)(F)F)n2)cc1C(F)(F)F
InChIInChI=1S/2C23H32N6.C22H30N6.C22H32N6.C17H15F6N3O.2C16H20N4O/c2*1-16-9-18(11-25-21(16)24)19-12-29(20(26-19)10-17-3-4-17)23-13-22(14-23,15-23)28-7-5-27(2)6-8-28;1-15-9-17(10-24-19(15)23)18-11-28(20(25-18)16-3-4-16)22-12-21(13-22,14-22)27-7-5-26(2)6-8-27;1-15(2)20-25-18(17-9-16(3)19(23)24-10-17)11-28(20)22-12-21(13-22,14-22)27-7-5-26(4)6-8-27;1-8-11(16(18,19)20)2-10(6-24-8)12-7-26(15-3-9(4-15)5-15)14(25-12)13(27)17(21,22)23;2*1-9-3-12(7-18-14(9)17)13-8-20(15(19-13)10(2)21)16-4-11(5-16)6-16/h2*9,11-12,17H,3-8,10,13-15H2,1-2H3,(H2,24,25);9-11,16H,3-8,12-14H2,1-2H3,(H2,23,24);9-11,15H,5-8,12-14H2,1-4H3,(H2,23,24);2,6-7,9,13,27H,3-5H2,1H3;2*3,7-8,10-11,21H,4-6H2,1-2H3,(H2,17,18)
InChIKeyRIQPXGGJBNLUCC-UHFFFAOYSA-N
MW2504.21 g/mol
LogP19.94
Rot. Bonds27

About bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-2,2,2-trifluoroethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine

bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-2,2,2-trifluoroethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine (PubChem CID 160636887) has the molecular formula C139H181F6N35O3 and a molecular weight of 2504.21 g/mol. Its IUPAC name is bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-2,2,2-trifluoroethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Namebis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-2,2,2-trifluoroethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine
PubChem CID160636887
Molecular FormulaC139H181F6N35O3
Molecular Weight2504.21 g/mol
Exact Mass2502.50
IUPAC Namebis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-2,2,2-trifluoroethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine
SMILESCc1cc(-c2cn(C34CC(C3)C4)c(C(C)O)n2)cnc1N.Cc1cc(-c2cn(C34CC(C3)C4)c(C(C)O)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCN(C)CC5)(C3)C4)c(C(C)C)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCN(C)CC5)(C3)C4)c(C3CC3)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCN(C)CC5)(C3)C4)c(CC3CC3)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCN(C)CC5)(C3)C4)c(CC3CC3)n2)cnc1N.Cc1ncc(-c2cn(C34CC(C3)C4)c(C(O)C(F)(F)F)n2)cc1C(F)(F)F
InChIInChI=1S/2C23H32N6.C22H30N6.C22H32N6.C17H15F6N3O.2C16H20N4O/c2*1-16-9-18(11-25-21(16)24)19-12-29(20(26-19)10-17-3-4-17)23-13-22(14-23,15-23)28-7-5-27(2)6-8-28;1-15-9-17(10-24-19(15)23)18-11-28(20(25-18)16-3-4-16)22-12-21(13-22,14-22)27-7-5-26(2)6-8-27;1-15(2)20-25-18(17-9-16(3)19(23)24-10-17)11-28(20)22-12-21(13-22,14-22)27-7-5-26(4)6-8-27;1-8-11(16(18,19)20)2-10(6-24-8)12-7-26(15-3-9(4-15)5-15)14(25-12)13(27)17(21,22)23;2*1-9-3-12(7-18-14(9)17)13-8-20(15(19-13)10(2)21)16-4-11(5-16)6-16/h2*9,11-12,17H,3-8,10,13-15H2,1-2H3,(H2,24,25);9-11,16H,3-8,12-14H2,1-2H3,(H2,23,24);9-11,15H,5-8,12-14H2,1-4H3,(H2,23,24);2,6-7,9,13,27H,3-5H2,1H3;2*3,7-8,10-11,21H,4-6H2,1-2H3,(H2,17,18)
InChIKeyRIQPXGGJBNLUCC-UHFFFAOYSA-N
XLogP19.94
TPSA457.70 Ų
H-Bond Donors9
H-Bond Acceptors38
Rotatable Bonds27
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002504.21
LogP ≤ 519.94
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1038

Analyze bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-2,2,2-trifluoroethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-2,2,2-trifluoroethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine?
The IUPAC name of bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-2,2,2-trifluoroethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine (CID 160636887) is bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-2,2,2-trifluoroethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-2,2,2-trifluoroethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine?
The canonical SMILES for bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-2,2,2-trifluoroethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine is Cc1cc(-c2cn(C34CC(C3)C4)c(C(C)O)n2)cnc1N.Cc1cc(-c2cn(C34CC(C3)C4)c(C(C)O)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCN(C)CC5)(C3)C4)c(C(C)C)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCN(C)CC5)(C3)C4)c(C3CC3)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCN(C)CC5)(C3)C4)c(CC3CC3)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCN(C)CC5)(C3)C4)c(CC3CC3)n2)cnc1N.Cc1ncc(-c2cn(C34CC(C3)C4)c(C(O)C(F)(F)F)n2)cc1C(F)(F)F.
What is the InChIKey of bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-2,2,2-trifluoroethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine?
The InChIKey is RIQPXGGJBNLUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H32N6.C22H30N6.C22H32N6.C17H15F6N3O.2C16H20N4O/c2*1-16-9-18(11-25-21(16)24)19-12-29(20(26-19)10-17-3-4-17)23-13-22(14-23,15-23)28-7-5-27(2)6-8-28;1-15-9-17(10-24-19(15)23)18-11-28(20(25-18)16-3-4-16)22-12-21(13-22,14-22)27-7-5-26(2)6-8-27;1-15(2)20-25-18(17-9-16(3)19(23)24-10-17)11-28(20)22-12-21(13-22,14-22)27-7-5-26(4)6-8-27;1-8-11(16(18,19)20)2-10(6-24-8)12-7-26(15-3-9(4-15)5-15)14(25-12)13(27)17(21,22)23;2*1-9-3-12(7-18-14(9)17)13-8-20(15(19-13)10(2)21)16-4-11(5-16)6-16/h2*9,11-12,17H,3-8,10,13-15H2,1-2H3,(H2,24,25);9-11,16H,3-8,12-14H2,1-2H3,(H2,23,24);9-11,15H,5-8,12-14H2,1-4H3,(H2,23,24);2,6-7,9,13,27H,3-5H2,1H3;2*3,7-8,10-11,21H,4-6H2,1-2H3,(H2,17,18).
What are the key properties of bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-2,2,2-trifluoroethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine?
bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-2,2,2-trifluoroethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine has a molecular weight of 2504.21 g/mol, XLogP of 19.94, 27 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-2,2,2-trifluoroethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 160636887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).