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

C151H204F3N39O — CID 157428003

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

1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);bis(5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;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 157428003) has the molecular formula C151H204F3N39O and a molecular weight of 2638.56 g/mol. Its IUPAC name is 1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);bis(5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;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 Name: 1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);bis(5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;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: 157428003
• Molecular Formula: C151H204F3N39O
• Molecular Weight: 2638.56 g/mol
• Exact Mass: 2636.71
• IUPAC Name: 1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);bis(5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;3-methyl-5-[1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine
• SMILES: 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(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(N5CCN(C)CC5)(C3)C4)c(C3CC3)n2)cc1C(F)(F)F
• InChI: InChI=1S/C23H28F3N5.2C23H32N6.2C22H30N6.C22H32N6.C16H20N4O/c1-15-18(23(24,25)26)9-17(10-27-15)19-11-31(20(28-19)16-3-4-16)22-12-21(13-22,14-22)30-7-5-29(2)6-8-30;2*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;2*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;1-9-3-12(7-18-14(9)17)13-8-20(15(19-13)10(2)21)16-4-11(5-16)6-16/h9-11,16H,3-8,12-14H2,1-2H3;2*9,11-12,17H,3-8,10,13-15H2,1-2H3,(H2,24,25);2*9-11,16H,3-8,12-14H2,1-2H3,(H2,23,24);9-11,15H,5-8,12-14H2,1-4H3,(H2,23,24);3,7-8,10-11,21H,4-6H2,1-2H3,(H2,17,18)
• InChIKey: BQENWEAGFSAEHN-UHFFFAOYSA-N
• XLogP: 19.78
• TPSA: 430.20 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 29
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2638.56
LogP ≤ 5	19.78
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);bis(5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;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 1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);bis(5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;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 157428003) is 1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);bis(5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;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 1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);bis(5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;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 1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);bis(5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;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(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(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(N5CCN(C)CC5)(C3)C4)c(C3CC3)n2)cc1C(F)(F)F.

What is the InChIKey of 1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);bis(5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;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 BQENWEAGFSAEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N5.2C23H32N6.2C22H30N6.C22H32N6.C16H20N4O/c1-15-18(23(24,25)26)9-17(10-27-15)19-11-31(20(28-19)16-3-4-16)22-12-21(13-22,14-22)30-7-5-29(2)6-8-30;2*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;2*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;1-9-3-12(7-18-14(9)17)13-8-20(15(19-13)10(2)21)16-4-11(5-16)6-16/h9-11,16H,3-8,12-14H2,1-2H3;2*9,11-12,17H,3-8,10,13-15H2,1-2H3,(H2,24,25);2*9-11,16H,3-8,12-14H2,1-2H3,(H2,23,24);9-11,15H,5-8,12-14H2,1-4H3,(H2,23,24);3,7-8,10-11,21H,4-6H2,1-2H3,(H2,17,18).

What are the key properties of 1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);bis(5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;3-methyl-5-[1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine?

1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);bis(5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;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 2638.56 g/mol, XLogP of 19.78, 29 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);bis(5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;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 157428003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).