N-[1-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]formamide;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)-N-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine;methoxymethane

C56H70F4N16O2 — CID 145006864

About N-[1-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]formamide;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)-N-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine;methoxymethane

N-[1-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]formamide;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)-N-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine;methoxymethane (PubChem CID 145006864) has the molecular formula C56H70F4N16O2 and a molecular weight of 1075.28 g/mol. Its IUPAC name is N-[1-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]formamide;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)-N-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine;methoxymethane.

Molecular Properties

• Compound Name: N-[1-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]formamide;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)-N-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine;methoxymethane
• PubChem CID: 145006864
• Molecular Formula: C56H70F4N16O2
• Molecular Weight: 1075.28 g/mol
• Exact Mass: 1074.58
• IUPAC Name: N-[1-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]formamide;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)-N-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine;methoxymethane
• SMILES: CC1CN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5c(c4)N(C(C)C)C(C)N5)n3)nc2)CC(C)N1C.COC.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCC(NC=O)C5)cn4)ncc3F)cc2n1C(C)C
• InChI: InChI=1S/C28H36F2N8.C26H28F2N8O.C2H6O/c1-16(2)38-19(5)33-27-22(29)9-21(10-24(27)38)26-23(30)12-32-28(35-26)34-25-8-7-20(11-31-25)15-37-13-17(3)36(6)18(4)14-37;1-15(2)36-16(3)32-25-20(27)8-18(9-22(25)36)24-21(28)11-30-26(34-24)33-23-5-4-17(10-29-23)12-35-7-6-19(13-35)31-14-37;1-3-2/h7-12,16-19,33H,13-15H2,1-6H3,(H,31,32,34,35);4-5,8-11,14-15,19H,6-7,12-13H2,1-3H3,(H,31,37)(H,29,30,33,34);1-2H3
• InChIKey: SHNKLNYJFUZJCP-UHFFFAOYSA-N
• XLogP: 9.45
• TPSA: 182.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1075.28
LogP ≤ 5	9.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]formamide;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)-N-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine;methoxymethane?

The IUPAC name of N-[1-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]formamide;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)-N-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine;methoxymethane (CID 145006864) is N-[1-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]formamide;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)-N-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine;methoxymethane.

What is the SMILES notation for N-[1-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]formamide;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)-N-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine;methoxymethane?

The canonical SMILES for N-[1-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]formamide;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)-N-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine;methoxymethane is CC1CN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5c(c4)N(C(C)C)C(C)N5)n3)nc2)CC(C)N1C.COC.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCC(NC=O)C5)cn4)ncc3F)cc2n1C(C)C.

What is the InChIKey of N-[1-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]formamide;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)-N-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine;methoxymethane?

The InChIKey is SHNKLNYJFUZJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36F2N8.C26H28F2N8O.C2H6O/c1-16(2)38-19(5)33-27-22(29)9-21(10-24(27)38)26-23(30)12-32-28(35-26)34-25-8-7-20(11-31-25)15-37-13-17(3)36(6)18(4)14-37;1-15(2)36-16(3)32-25-20(27)8-18(9-22(25)36)24-21(28)11-30-26(34-24)33-23-5-4-17(10-29-23)12-35-7-6-19(13-35)31-14-37;1-3-2/h7-12,16-19,33H,13-15H2,1-6H3,(H,31,32,34,35);4-5,8-11,14-15,19H,6-7,12-13H2,1-3H3,(H,31,37)(H,29,30,33,34);1-2H3.

What are the key properties of N-[1-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]formamide;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)-N-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine;methoxymethane?

N-[1-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]formamide;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)-N-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine;methoxymethane has a molecular weight of 1075.28 g/mol, XLogP of 9.45, 14 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]formamide;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-yl-1,2-dihydrobenzimidazol-5-yl)-N-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine;methoxymethane is sourced from PubChem (CID 145006864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).