[4-[2-(aminomethyl)-7-(2,4-difluorophenyl)-1-benzofuran-5-yl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[7-(2,4-difluorophenyl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]-1-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)propan-1-one;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine

C70H59F8N7O5 — CID 158247634

About [4-[2-(aminomethyl)-7-(2,4-difluorophenyl)-1-benzofuran-5-yl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[7-(2,4-difluorophenyl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]-1-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)propan-1-one;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine

[4-[2-(aminomethyl)-7-(2,4-difluorophenyl)-1-benzofuran-5-yl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[7-(2,4-difluorophenyl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]-1-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)propan-1-one;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine (PubChem CID 158247634) has the molecular formula C70H59F8N7O5 and a molecular weight of 1230.27 g/mol. Its IUPAC name is [4-[2-(aminomethyl)-7-(2,4-difluorophenyl)-1-benzofuran-5-yl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[7-(2,4-difluorophenyl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]-1-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)propan-1-one;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: [4-[2-(aminomethyl)-7-(2,4-difluorophenyl)-1-benzofuran-5-yl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[7-(2,4-difluorophenyl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]-1-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)propan-1-one;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
• PubChem CID: 158247634
• Molecular Formula: C70H59F8N7O5
• Molecular Weight: 1230.27 g/mol
• Exact Mass: 1229.44
• IUPAC Name: [4-[2-(aminomethyl)-7-(2,4-difluorophenyl)-1-benzofuran-5-yl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[7-(2,4-difluorophenyl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]-1-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)propan-1-one;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
• SMILES: NCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(-c3ccc(F)cc3F)c2o1.O=C(CCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(-c3ccc(F)cc3F)c2o1)N1Cc2ccncc2C1.c1cc2c(cn1)CNC2
• InChI: InChI=1S/C36H29F4N3O3.C27H22F4N2O2.C7H8N2/c37-28-5-7-30(32(38)18-28)31-17-25(22-1-3-23(4-2-22)35(45)42-13-10-36(39,40)11-14-42)15-26-16-29(46-34(26)31)6-8-33(44)43-20-24-9-12-41-19-27(24)21-43;28-20-5-6-22(24(29)14-20)23-13-18(11-19-12-21(15-32)35-25(19)23)16-1-3-17(4-2-16)26(34)33-9-7-27(30,31)8-10-33;1-2-8-4-7-5-9-3-6(1)7/h1-5,7,9,12,15-19H,6,8,10-11,13-14,20-21H2;1-6,11-14H,7-10,15,32H2;1-2,4,9H,3,5H2
• InChIKey: GGHZQQCVRWXJLG-UHFFFAOYSA-N
• XLogP: 14.85
• TPSA: 151.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1230.27
LogP ≤ 5	14.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [4-[2-(aminomethyl)-7-(2,4-difluorophenyl)-1-benzofuran-5-yl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[7-(2,4-difluorophenyl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]-1-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)propan-1-one;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine?

The IUPAC name of [4-[2-(aminomethyl)-7-(2,4-difluorophenyl)-1-benzofuran-5-yl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[7-(2,4-difluorophenyl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]-1-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)propan-1-one;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine (CID 158247634) is [4-[2-(aminomethyl)-7-(2,4-difluorophenyl)-1-benzofuran-5-yl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[7-(2,4-difluorophenyl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]-1-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)propan-1-one;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine.

What is the SMILES notation for [4-[2-(aminomethyl)-7-(2,4-difluorophenyl)-1-benzofuran-5-yl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[7-(2,4-difluorophenyl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]-1-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)propan-1-one;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine?

The canonical SMILES for [4-[2-(aminomethyl)-7-(2,4-difluorophenyl)-1-benzofuran-5-yl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[7-(2,4-difluorophenyl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]-1-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)propan-1-one;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine is NCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(-c3ccc(F)cc3F)c2o1.O=C(CCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(-c3ccc(F)cc3F)c2o1)N1Cc2ccncc2C1.c1cc2c(cn1)CNC2.

What is the InChIKey of [4-[2-(aminomethyl)-7-(2,4-difluorophenyl)-1-benzofuran-5-yl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[7-(2,4-difluorophenyl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]-1-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)propan-1-one;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine?

The InChIKey is GGHZQQCVRWXJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29F4N3O3.C27H22F4N2O2.C7H8N2/c37-28-5-7-30(32(38)18-28)31-17-25(22-1-3-23(4-2-22)35(45)42-13-10-36(39,40)11-14-42)15-26-16-29(46-34(26)31)6-8-33(44)43-20-24-9-12-41-19-27(24)21-43;28-20-5-6-22(24(29)14-20)23-13-18(11-19-12-21(15-32)35-25(19)23)16-1-3-17(4-2-16)26(34)33-9-7-27(30,31)8-10-33;1-2-8-4-7-5-9-3-6(1)7/h1-5,7,9,12,15-19H,6,8,10-11,13-14,20-21H2;1-6,11-14H,7-10,15,32H2;1-2,4,9H,3,5H2.

What are the key properties of [4-[2-(aminomethyl)-7-(2,4-difluorophenyl)-1-benzofuran-5-yl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[7-(2,4-difluorophenyl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]-1-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)propan-1-one;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine?

[4-[2-(aminomethyl)-7-(2,4-difluorophenyl)-1-benzofuran-5-yl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[7-(2,4-difluorophenyl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]-1-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)propan-1-one;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine has a molecular weight of 1230.27 g/mol, XLogP of 14.85, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-(aminomethyl)-7-(2,4-difluorophenyl)-1-benzofuran-5-yl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[7-(2,4-difluorophenyl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]-1-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)propan-1-one;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 158247634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).