6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide

C47H43F4N13O3 — CID 118240220

About 6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide

6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide (PubChem CID 118240220) has the molecular formula C47H43F4N13O3 and a molecular weight of 913.94 g/mol. Its IUPAC name is 6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide.

Molecular Properties

• Compound Name: 6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide
• PubChem CID: 118240220
• Molecular Formula: C47H43F4N13O3
• Molecular Weight: 913.94 g/mol
• Exact Mass: 913.35
• IUPAC Name: 6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide
• SMILES: COc1nc2c(C(N)=O)cc(F)cc2n1-c1nc2c(c(NCc3cccc(F)c3)n1)N(C)CC2.Cc1cc2c(C(N)=O)cc(F)cc2n1-c1nc2c(c(NCc3cccc(F)c3)n1)N(C)CC2
• InChI: InChI=1S/C24H22F2N6O.C23H21F2N7O2/c1-13-8-17-18(22(27)33)10-16(26)11-20(17)32(13)24-29-19-6-7-31(2)21(19)23(30-24)28-12-14-4-3-5-15(25)9-14;1-31-7-6-16-19(31)21(27-11-12-4-3-5-13(24)8-12)30-22(28-16)32-17-10-14(25)9-15(20(26)33)18(17)29-23(32)34-2/h3-5,8-11H,6-7,12H2,1-2H3,(H2,27,33)(H,28,29,30);3-5,8-10H,6-7,11H2,1-2H3,(H2,26,33)(H,27,28,30)
• InChIKey: WHJPEGPNUJFYPV-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 200.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	913.94
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide?

The IUPAC name of 6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide (CID 118240220) is 6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide.

What is the SMILES notation for 6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide?

The canonical SMILES for 6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide is COc1nc2c(C(N)=O)cc(F)cc2n1-c1nc2c(c(NCc3cccc(F)c3)n1)N(C)CC2.Cc1cc2c(C(N)=O)cc(F)cc2n1-c1nc2c(c(NCc3cccc(F)c3)n1)N(C)CC2.

What is the InChIKey of 6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide?

The InChIKey is WHJPEGPNUJFYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O.C23H21F2N7O2/c1-13-8-17-18(22(27)33)10-16(26)11-20(17)32(13)24-29-19-6-7-31(2)21(19)23(30-24)28-12-14-4-3-5-15(25)9-14;1-31-7-6-16-19(31)21(27-11-12-4-3-5-13(24)8-12)30-22(28-16)32-17-10-14(25)9-15(20(26)33)18(17)29-23(32)34-2/h3-5,8-11H,6-7,12H2,1-2H3,(H2,27,33)(H,28,29,30);3-5,8-10H,6-7,11H2,1-2H3,(H2,26,33)(H,27,28,30).

What are the key properties of 6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide?

6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide has a molecular weight of 913.94 g/mol, XLogP of 6.52, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide is sourced from PubChem (CID 118240220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).