4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole

C91H92ClN11O4S — CID 158348134

About 4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole

4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole (PubChem CID 158348134) has the molecular formula C91H92ClN11O4S and a molecular weight of 1471.33 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole.

Molecular Properties

• Compound Name: 4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole
• PubChem CID: 158348134
• Molecular Formula: C91H92ClN11O4S
• Molecular Weight: 1471.33 g/mol
• Exact Mass: 1469.67
• IUPAC Name: 4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole
• SMILES: CN1CCC[C@H]1c1cnc(Cl)cc1-c1cc2ccccc2o1.CN1CCC[C@H]1c1cnccc1-c1cc2ccccc2[nH]1.CN1CCC[C@H]1c1cnccc1-c1cc2ccccc2o1.CN1CCC[C@H]1c1cnccc1-c1cc2ccccc2s1.COc1cc(-c2cc3ccccc3o2)c([C@@H]2CCCN2C)cn1
• InChI: InChI=1S/C19H20N2O2.C18H17ClN2O.C18H19N3.C18H18N2O.C18H18N2S/c1-21-9-5-7-16(21)15-12-20-19(22-2)11-14(15)18-10-13-6-3-4-8-17(13)23-18;1-21-8-4-6-15(21)14-11-20-18(19)10-13(14)17-9-12-5-2-3-7-16(12)22-17;1-21-10-4-7-18(21)15-12-19-9-8-14(15)17-11-13-5-2-3-6-16(13)20-17;2*1-20-10-4-6-16(20)15-12-19-9-8-14(15)18-11-13-5-2-3-7-17(13)21-18/h3-4,6,8,10-12,16H,5,7,9H2,1-2H3;2-3,5,7,9-11,15H,4,6,8H2,1H3;2-3,5-6,8-9,11-12,18,20H,4,7,10H2,1H3;2*2-3,5,7-9,11-12,16H,4,6,10H2,1H3/t16-;15-;18-;2*16-/m00000/s1
• InChIKey: GRZHDYPZNLLCSD-TYYMSTHOSA-N
• XLogP: 22.17
• TPSA: 145.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1471.33
LogP ≤ 5	22.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole?

The IUPAC name of 4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole (CID 158348134) is 4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole.

What is the SMILES notation for 4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole?

The canonical SMILES for 4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole is CN1CCC[C@H]1c1cnc(Cl)cc1-c1cc2ccccc2o1.CN1CCC[C@H]1c1cnccc1-c1cc2ccccc2[nH]1.CN1CCC[C@H]1c1cnccc1-c1cc2ccccc2o1.CN1CCC[C@H]1c1cnccc1-c1cc2ccccc2s1.COc1cc(-c2cc3ccccc3o2)c([C@@H]2CCCN2C)cn1.

What is the InChIKey of 4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole?

The InChIKey is GRZHDYPZNLLCSD-TYYMSTHOSA-N. The full InChI is InChI=1S/C19H20N2O2.C18H17ClN2O.C18H19N3.C18H18N2O.C18H18N2S/c1-21-9-5-7-16(21)15-12-20-19(22-2)11-14(15)18-10-13-6-3-4-8-17(13)23-18;1-21-8-4-6-15(21)14-11-20-18(19)10-13(14)17-9-12-5-2-3-7-16(12)22-17;1-21-10-4-7-18(21)15-12-19-9-8-14(15)17-11-13-5-2-3-6-16(13)20-17;2*1-20-10-4-6-16(20)15-12-19-9-8-14(15)18-11-13-5-2-3-7-17(13)21-18/h3-4,6,8,10-12,16H,5,7,9H2,1-2H3;2-3,5,7,9-11,15H,4,6,8H2,1H3;2-3,5-6,8-9,11-12,18,20H,4,7,10H2,1H3;2*2-3,5,7-9,11-12,16H,4,6,10H2,1H3/t16-;15-;18-;2*16-/m00000/s1.

What are the key properties of 4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole?

4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole has a molecular weight of 1471.33 g/mol, XLogP of 22.17, 11 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole is sourced from PubChem (CID 158348134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).