[6-[2-(aminomethyl)-7-(4-fluorophenyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(4-fluorophenyl)-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

C68H59F6N9O5 — CID 161171190

About [6-[2-(aminomethyl)-7-(4-fluorophenyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(4-fluorophenyl)-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

[6-[2-(aminomethyl)-7-(4-fluorophenyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(4-fluorophenyl)-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 161171190) has the molecular formula C68H59F6N9O5 and a molecular weight of 1196.27 g/mol. Its IUPAC name is [6-[2-(aminomethyl)-7-(4-fluorophenyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(4-fluorophenyl)-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: [6-[2-(aminomethyl)-7-(4-fluorophenyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(4-fluorophenyl)-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: 161171190
• Molecular Formula: C68H59F6N9O5
• Molecular Weight: 1196.27 g/mol
• Exact Mass: 1195.45
• IUPAC Name: [6-[2-(aminomethyl)-7-(4-fluorophenyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(4-fluorophenyl)-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)cn3)cc(-c3ccc(F)cc3)c2o1.O=C(CCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(-c3ccc(F)cc3)c2o1)N1Cc2ccncc2C1.c1cc2c(cn1)CNC2
• InChI: InChI=1S/C35H29F3N4O3.C26H22F3N3O2.C7H8N2/c36-28-4-1-22(2-5-28)30-17-25(31-7-3-23(19-40-31)34(44)41-13-10-35(37,38)11-14-41)15-26-16-29(45-33(26)30)6-8-32(43)42-20-24-9-12-39-18-27(24)21-42;27-20-4-1-16(2-5-20)22-13-18(11-19-12-21(14-30)34-24(19)22)23-6-3-17(15-31-23)25(33)32-9-7-26(28,29)8-10-32;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;1-6,11-13,15H,7-10,14,30H2;1-2,4,9H,3,5H2
• InChIKey: URESVLIUNLXYLN-UHFFFAOYSA-N
• XLogP: 13.36
• TPSA: 176.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1196.27
LogP ≤ 5	13.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [6-[2-(aminomethyl)-7-(4-fluorophenyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(4-fluorophenyl)-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 [6-[2-(aminomethyl)-7-(4-fluorophenyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(4-fluorophenyl)-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 161171190) is [6-[2-(aminomethyl)-7-(4-fluorophenyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(4-fluorophenyl)-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 [6-[2-(aminomethyl)-7-(4-fluorophenyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(4-fluorophenyl)-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 [6-[2-(aminomethyl)-7-(4-fluorophenyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(4-fluorophenyl)-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)cn3)cc(-c3ccc(F)cc3)c2o1.O=C(CCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(-c3ccc(F)cc3)c2o1)N1Cc2ccncc2C1.c1cc2c(cn1)CNC2.

What is the InChIKey of [6-[2-(aminomethyl)-7-(4-fluorophenyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(4-fluorophenyl)-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 URESVLIUNLXYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29F3N4O3.C26H22F3N3O2.C7H8N2/c36-28-4-1-22(2-5-28)30-17-25(31-7-3-23(19-40-31)34(44)41-13-10-35(37,38)11-14-41)15-26-16-29(45-33(26)30)6-8-32(43)42-20-24-9-12-39-18-27(24)21-42;27-20-4-1-16(2-5-20)22-13-18(11-19-12-21(14-30)34-24(19)22)23-6-3-17(15-31-23)25(33)32-9-7-26(28,29)8-10-32;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;1-6,11-13,15H,7-10,14,30H2;1-2,4,9H,3,5H2.

What are the key properties of [6-[2-(aminomethyl)-7-(4-fluorophenyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(4-fluorophenyl)-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?

[6-[2-(aminomethyl)-7-(4-fluorophenyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(4-fluorophenyl)-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 1196.27 g/mol, XLogP of 13.36, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[2-(aminomethyl)-7-(4-fluorophenyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(4-fluorophenyl)-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 161171190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).