6-bromo-2-methylpyridine-3-carbaldehyde;tert-butyl 4-[(6-bromo-2-methyl-3-pyridinyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperazine-1-carboxylate;3,6-dibromo-2-methylpyridine;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine

C88H103Br4F4N21O5 — CID 157322132

About 6-bromo-2-methylpyridine-3-carbaldehyde;tert-butyl 4-[(6-bromo-2-methyl-3-pyridinyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperazine-1-carboxylate;3,6-dibromo-2-methylpyridine;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine

6-bromo-2-methylpyridine-3-carbaldehyde;tert-butyl 4-[(6-bromo-2-methyl-3-pyridinyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperazine-1-carboxylate;3,6-dibromo-2-methylpyridine;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 157322132) has the molecular formula C88H103Br4F4N21O5 and a molecular weight of 1930.54 g/mol. Its IUPAC name is 6-bromo-2-methylpyridine-3-carbaldehyde;tert-butyl 4-[(6-bromo-2-methyl-3-pyridinyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperazine-1-carboxylate;3,6-dibromo-2-methylpyridine;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 6-bromo-2-methylpyridine-3-carbaldehyde;tert-butyl 4-[(6-bromo-2-methyl-3-pyridinyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperazine-1-carboxylate;3,6-dibromo-2-methylpyridine;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine
• PubChem CID: 157322132
• Molecular Formula: C88H103Br4F4N21O5
• Molecular Weight: 1930.54 g/mol
• Exact Mass: 1925.51
• IUPAC Name: 6-bromo-2-methylpyridine-3-carbaldehyde;tert-butyl 4-[(6-bromo-2-methyl-3-pyridinyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperazine-1-carboxylate;3,6-dibromo-2-methylpyridine;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine
• SMILES: Cc1nc(Br)ccc1Br.Cc1nc(Br)ccc1C=O.Cc1nc(Br)ccc1CN1CCN(C(=O)OC(C)(C)C)CC1.Cc1nc(Nc2ncc(F)c(-c3cc(F)c4nc5n(c4c3)C(C)(C)CC5)n2)ccc1CN1CCN(C(=O)OC(C)(C)C)CC1.Cc1nc(Nc2ncc(F)c(-c3cc(F)c4nc5n(c4c3)C(C)(C)CC5)n2)ccc1CN1CCNCC1
• InChI: InChI=1S/C32H38F2N8O2.C27H30F2N8.C16H24BrN3O2.C7H6BrNO.C6H5Br2N/c1-19-20(18-40-11-13-41(14-12-40)30(43)44-31(2,3)4)7-8-25(36-19)37-29-35-17-23(34)27(39-29)21-15-22(33)28-24(16-21)42-26(38-28)9-10-32(42,5)6;1-16-17(15-36-10-8-30-9-11-36)4-5-22(32-16)33-26-31-14-20(29)24(35-26)18-12-19(28)25-21(13-18)37-23(34-25)6-7-27(37,2)3;1-12-13(5-6-14(17)18-12)11-19-7-9-20(10-8-19)15(21)22-16(2,3)4;1-5-6(4-10)2-3-7(8)9-5;1-4-5(7)2-3-6(8)9-4/h7-8,15-17H,9-14,18H2,1-6H3,(H,35,36,37,39);4-5,12-14,30H,6-11,15H2,1-3H3,(H,31,32,33,35);5-6H,7-11H2,1-4H3;2-4H,1H3;2-3H,1H3
• InChIKey: BEHFXUVTGZPBTP-UHFFFAOYSA-N
• XLogP: 18.34
• TPSA: 273.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1930.54
LogP ≤ 5	18.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

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-bromo-2-methylpyridine-3-carbaldehyde;tert-butyl 4-[(6-bromo-2-methyl-3-pyridinyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperazine-1-carboxylate;3,6-dibromo-2-methylpyridine;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine?

The IUPAC name of 6-bromo-2-methylpyridine-3-carbaldehyde;tert-butyl 4-[(6-bromo-2-methyl-3-pyridinyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperazine-1-carboxylate;3,6-dibromo-2-methylpyridine;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine (CID 157322132) is 6-bromo-2-methylpyridine-3-carbaldehyde;tert-butyl 4-[(6-bromo-2-methyl-3-pyridinyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperazine-1-carboxylate;3,6-dibromo-2-methylpyridine;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine.

What is the SMILES notation for 6-bromo-2-methylpyridine-3-carbaldehyde;tert-butyl 4-[(6-bromo-2-methyl-3-pyridinyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperazine-1-carboxylate;3,6-dibromo-2-methylpyridine;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine?

The canonical SMILES for 6-bromo-2-methylpyridine-3-carbaldehyde;tert-butyl 4-[(6-bromo-2-methyl-3-pyridinyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperazine-1-carboxylate;3,6-dibromo-2-methylpyridine;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine is Cc1nc(Br)ccc1Br.Cc1nc(Br)ccc1C=O.Cc1nc(Br)ccc1CN1CCN(C(=O)OC(C)(C)C)CC1.Cc1nc(Nc2ncc(F)c(-c3cc(F)c4nc5n(c4c3)C(C)(C)CC5)n2)ccc1CN1CCN(C(=O)OC(C)(C)C)CC1.Cc1nc(Nc2ncc(F)c(-c3cc(F)c4nc5n(c4c3)C(C)(C)CC5)n2)ccc1CN1CCNCC1.

What is the InChIKey of 6-bromo-2-methylpyridine-3-carbaldehyde;tert-butyl 4-[(6-bromo-2-methyl-3-pyridinyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperazine-1-carboxylate;3,6-dibromo-2-methylpyridine;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine?

The InChIKey is BEHFXUVTGZPBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F2N8O2.C27H30F2N8.C16H24BrN3O2.C7H6BrNO.C6H5Br2N/c1-19-20(18-40-11-13-41(14-12-40)30(43)44-31(2,3)4)7-8-25(36-19)37-29-35-17-23(34)27(39-29)21-15-22(33)28-24(16-21)42-26(38-28)9-10-32(42,5)6;1-16-17(15-36-10-8-30-9-11-36)4-5-22(32-16)33-26-31-14-20(29)24(35-26)18-12-19(28)25-21(13-18)37-23(34-25)6-7-27(37,2)3;1-12-13(5-6-14(17)18-12)11-19-7-9-20(10-8-19)15(21)22-16(2,3)4;1-5-6(4-10)2-3-7(8)9-5;1-4-5(7)2-3-6(8)9-4/h7-8,15-17H,9-14,18H2,1-6H3,(H,35,36,37,39);4-5,12-14,30H,6-11,15H2,1-3H3,(H,31,32,33,35);5-6H,7-11H2,1-4H3;2-4H,1H3;2-3H,1H3.

What are the key properties of 6-bromo-2-methylpyridine-3-carbaldehyde;tert-butyl 4-[(6-bromo-2-methyl-3-pyridinyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperazine-1-carboxylate;3,6-dibromo-2-methylpyridine;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine?

6-bromo-2-methylpyridine-3-carbaldehyde;tert-butyl 4-[(6-bromo-2-methyl-3-pyridinyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperazine-1-carboxylate;3,6-dibromo-2-methylpyridine;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 1930.54 g/mol, XLogP of 18.34, 13 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-methylpyridine-3-carbaldehyde;tert-butyl 4-[(6-bromo-2-methyl-3-pyridinyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperazine-1-carboxylate;3,6-dibromo-2-methylpyridine;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 157322132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).