4-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methoxypyrido[4,3-d]pyrimidin-5-amine;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-4-(2-methyl-4-methylsulfonylphenyl)-2,7-naphthyridin-1-amine

C96H90F4N18O7S — CID 165028943

About 4-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methoxypyrido[4,3-d]pyrimidin-5-amine;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-4-(2-methyl-4-methylsulfonylphenyl)-2,7-naphthyridin-1-amine

4-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methoxypyrido[4,3-d]pyrimidin-5-amine;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-4-(2-methyl-4-methylsulfonylphenyl)-2,7-naphthyridin-1-amine (PubChem CID 165028943) has the molecular formula C96H90F4N18O7S and a molecular weight of 1715.95 g/mol. Its IUPAC name is 4-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methoxypyrido[4,3-d]pyrimidin-5-amine;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-4-(2-methyl-4-methylsulfonylphenyl)-2,7-naphthyridin-1-amine.

Molecular Properties

• Compound Name: 4-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methoxypyrido[4,3-d]pyrimidin-5-amine;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-4-(2-methyl-4-methylsulfonylphenyl)-2,7-naphthyridin-1-amine
• PubChem CID: 165028943
• Molecular Formula: C96H90F4N18O7S
• Molecular Weight: 1715.95 g/mol
• Exact Mass: 1714.69
• IUPAC Name: 4-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methoxypyrido[4,3-d]pyrimidin-5-amine;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-4-(2-methyl-4-methylsulfonylphenyl)-2,7-naphthyridin-1-amine
• SMILES: COc1ncc2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c2n1.Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnccc23)n(C)n1.Cc1cc(CN(C)C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2cnccc12.Cc1cc(S(C)(=O)=O)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2cnccc12
• InChI: InChI=1S/C27H27FN4O.C25H22FN3O3S.C22H21FN6O2.C22H20FN5O/c1-17-12-18(16-32(2)3)4-5-19(17)22-14-30-27(24-13-29-10-8-20(22)24)31-15-23-21-9-11-33-26(21)7-6-25(23)28;1-15-11-16(33(2,30)31)3-4-17(15)20-13-28-25(22-12-27-9-7-18(20)22)29-14-21-19-8-10-32-24(19)6-5-23(21)26;1-12-8-18(29(2)28-12)15-10-25-21(16-11-26-22(30-3)27-20(15)16)24-9-14-13-6-7-31-19(13)5-4-17(14)23;1-13-9-20(28(2)27-13)17-12-26-22(18-10-24-7-5-14(17)18)25-11-16-15-6-8-29-21(15)4-3-19(16)23/h4-8,10,12-14H,9,11,15-16H2,1-3H3,(H,30,31);3-7,9,11-13H,8,10,14H2,1-2H3,(H,28,29);4-5,8,10-11H,6-7,9H2,1-3H3,(H,24,25);3-5,7,9-10,12H,6,8,11H2,1-2H3,(H,25,26)
• InChIKey: MIJIPGGOHVXJEQ-UHFFFAOYSA-N
• XLogP: 17.50
• TPSA: 283.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1715.95
LogP ≤ 5	17.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methoxypyrido[4,3-d]pyrimidin-5-amine;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-4-(2-methyl-4-methylsulfonylphenyl)-2,7-naphthyridin-1-amine?

The IUPAC name of 4-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methoxypyrido[4,3-d]pyrimidin-5-amine;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-4-(2-methyl-4-methylsulfonylphenyl)-2,7-naphthyridin-1-amine (CID 165028943) is 4-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methoxypyrido[4,3-d]pyrimidin-5-amine;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-4-(2-methyl-4-methylsulfonylphenyl)-2,7-naphthyridin-1-amine.

What is the SMILES notation for 4-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methoxypyrido[4,3-d]pyrimidin-5-amine;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-4-(2-methyl-4-methylsulfonylphenyl)-2,7-naphthyridin-1-amine?

The canonical SMILES for 4-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methoxypyrido[4,3-d]pyrimidin-5-amine;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-4-(2-methyl-4-methylsulfonylphenyl)-2,7-naphthyridin-1-amine is COc1ncc2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c2n1.Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnccc23)n(C)n1.Cc1cc(CN(C)C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2cnccc12.Cc1cc(S(C)(=O)=O)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2cnccc12.

What is the InChIKey of 4-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methoxypyrido[4,3-d]pyrimidin-5-amine;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-4-(2-methyl-4-methylsulfonylphenyl)-2,7-naphthyridin-1-amine?

The InChIKey is MIJIPGGOHVXJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O.C25H22FN3O3S.C22H21FN6O2.C22H20FN5O/c1-17-12-18(16-32(2)3)4-5-19(17)22-14-30-27(24-13-29-10-8-20(22)24)31-15-23-21-9-11-33-26(21)7-6-25(23)28;1-15-11-16(33(2,30)31)3-4-17(15)20-13-28-25(22-12-27-9-7-18(20)22)29-14-21-19-8-10-32-24(19)6-5-23(21)26;1-12-8-18(29(2)28-12)15-10-25-21(16-11-26-22(30-3)27-20(15)16)24-9-14-13-6-7-31-19(13)5-4-17(14)23;1-13-9-20(28(2)27-13)17-12-26-22(18-10-24-7-5-14(17)18)25-11-16-15-6-8-29-21(15)4-3-19(16)23/h4-8,10,12-14H,9,11,15-16H2,1-3H3,(H,30,31);3-7,9,11-13H,8,10,14H2,1-2H3,(H,28,29);4-5,8,10-11H,6-7,9H2,1-3H3,(H,24,25);3-5,7,9-10,12H,6,8,11H2,1-2H3,(H,25,26).

What are the key properties of 4-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methoxypyrido[4,3-d]pyrimidin-5-amine;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-4-(2-methyl-4-methylsulfonylphenyl)-2,7-naphthyridin-1-amine?

4-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methoxypyrido[4,3-d]pyrimidin-5-amine;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-4-(2-methyl-4-methylsulfonylphenyl)-2,7-naphthyridin-1-amine has a molecular weight of 1715.95 g/mol, XLogP of 17.50, 20 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methoxypyrido[4,3-d]pyrimidin-5-amine;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-4-(2-methyl-4-methylsulfonylphenyl)-2,7-naphthyridin-1-amine is sourced from PubChem (CID 165028943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).