6-bromopyridine-3-carbaldehyde;bis(1-[(6-bromo-3-pyridinyl)methyl]-4-methylpiperazine);7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine);5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine

C114H124Br3ClF8N32O — CID 159875266

About 6-bromopyridine-3-carbaldehyde;bis(1-[(6-bromo-3-pyridinyl)methyl]-4-methylpiperazine);7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine);5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine

6-bromopyridine-3-carbaldehyde;bis(1-[(6-bromo-3-pyridinyl)methyl]-4-methylpiperazine);7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine);5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine (PubChem CID 159875266) has the molecular formula C114H124Br3ClF8N32O and a molecular weight of 2385.62 g/mol. Its IUPAC name is 6-bromopyridine-3-carbaldehyde;bis(1-[(6-bromo-3-pyridinyl)methyl]-4-methylpiperazine);7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine);5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 6-bromopyridine-3-carbaldehyde;bis(1-[(6-bromo-3-pyridinyl)methyl]-4-methylpiperazine);7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine);5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine
• PubChem CID: 159875266
• Molecular Formula: C114H124Br3ClF8N32O
• Molecular Weight: 2385.62 g/mol
• Exact Mass: 2380.77
• IUPAC Name: 6-bromopyridine-3-carbaldehyde;bis(1-[(6-bromo-3-pyridinyl)methyl]-4-methylpiperazine);7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine);5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine
• SMILES: CC1(C)CCc2nc3c(F)cc(-c4nc(Cl)ncc4F)cc3n21.CC1(C)CCc2nc3c(F)cc(-c4nc(N)ncc4F)cc3n21.CN1CCN(Cc2ccc(Br)nc2)CC1.CN1CCN(Cc2ccc(Br)nc2)CC1.CN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc6n(c5c4)C(C)(C)CC6)n3)nc2)CC1.CN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc6n(c5c4)C(C)(C)CC6)n3)nc2)CC1.O=Cc1ccc(Br)nc1
• InChI: InChI=1S/2C27H30F2N8.C16H13ClF2N4.C16H15F2N5.2C11H16BrN3.C6H4BrNO/c2*1-27(2)7-6-23-33-25-19(28)12-18(13-21(25)37(23)27)24-20(29)15-31-26(34-24)32-22-5-4-17(14-30-22)16-36-10-8-35(3)9-11-36;1-16(2)4-3-12-21-14-9(18)5-8(6-11(14)23(12)16)13-10(19)7-20-15(17)22-13;1-16(2)4-3-12-21-14-9(17)5-8(6-11(14)23(12)16)13-10(18)7-20-15(19)22-13;2*1-14-4-6-15(7-5-14)9-10-2-3-11(12)13-8-10;7-6-2-1-5(4-9)3-8-6/h2*4-5,12-15H,6-11,16H2,1-3H3,(H,30,31,32,34);5-7H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3,(H2,19,20,22);2*2-3,8H,4-7,9H2,1H3;1-4H
• InChIKey: NSUZVIYYAFUYKN-UHFFFAOYSA-N
• XLogP: 20.66
• TPSA: 331.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 17
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2385.62
LogP ≤ 5	20.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromopyridine-3-carbaldehyde;bis(1-[(6-bromo-3-pyridinyl)methyl]-4-methylpiperazine);7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine);5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine?

The IUPAC name of 6-bromopyridine-3-carbaldehyde;bis(1-[(6-bromo-3-pyridinyl)methyl]-4-methylpiperazine);7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine);5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine (CID 159875266) is 6-bromopyridine-3-carbaldehyde;bis(1-[(6-bromo-3-pyridinyl)methyl]-4-methylpiperazine);7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine);5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine.

What is the SMILES notation for 6-bromopyridine-3-carbaldehyde;bis(1-[(6-bromo-3-pyridinyl)methyl]-4-methylpiperazine);7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine);5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine?

The canonical SMILES for 6-bromopyridine-3-carbaldehyde;bis(1-[(6-bromo-3-pyridinyl)methyl]-4-methylpiperazine);7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine);5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine is CC1(C)CCc2nc3c(F)cc(-c4nc(Cl)ncc4F)cc3n21.CC1(C)CCc2nc3c(F)cc(-c4nc(N)ncc4F)cc3n21.CN1CCN(Cc2ccc(Br)nc2)CC1.CN1CCN(Cc2ccc(Br)nc2)CC1.CN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc6n(c5c4)C(C)(C)CC6)n3)nc2)CC1.CN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc6n(c5c4)C(C)(C)CC6)n3)nc2)CC1.O=Cc1ccc(Br)nc1.

What is the InChIKey of 6-bromopyridine-3-carbaldehyde;bis(1-[(6-bromo-3-pyridinyl)methyl]-4-methylpiperazine);7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine);5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine?

The InChIKey is NSUZVIYYAFUYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H30F2N8.C16H13ClF2N4.C16H15F2N5.2C11H16BrN3.C6H4BrNO/c2*1-27(2)7-6-23-33-25-19(28)12-18(13-21(25)37(23)27)24-20(29)15-31-26(34-24)32-22-5-4-17(14-30-22)16-36-10-8-35(3)9-11-36;1-16(2)4-3-12-21-14-9(18)5-8(6-11(14)23(12)16)13-10(19)7-20-15(17)22-13;1-16(2)4-3-12-21-14-9(17)5-8(6-11(14)23(12)16)13-10(18)7-20-15(19)22-13;2*1-14-4-6-15(7-5-14)9-10-2-3-11(12)13-8-10;7-6-2-1-5(4-9)3-8-6/h2*4-5,12-15H,6-11,16H2,1-3H3,(H,30,31,32,34);5-7H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3,(H2,19,20,22);2*2-3,8H,4-7,9H2,1H3;1-4H.

What are the key properties of 6-bromopyridine-3-carbaldehyde;bis(1-[(6-bromo-3-pyridinyl)methyl]-4-methylpiperazine);7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine);5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine?

6-bromopyridine-3-carbaldehyde;bis(1-[(6-bromo-3-pyridinyl)methyl]-4-methylpiperazine);7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine);5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine has a molecular weight of 2385.62 g/mol, XLogP of 20.66, 17 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromopyridine-3-carbaldehyde;bis(1-[(6-bromo-3-pyridinyl)methyl]-4-methylpiperazine);7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;bis(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine);5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine is sourced from PubChem (CID 159875266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).