5-(1-benzofuran-2-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;5-methoxy-1,4-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-2,6-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine;4-[(2S)-1-methylpyrrolidin-2-yl]-2,7-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine

C101H128ClN21O5 — CID 159580822

About 5-(1-benzofuran-2-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;5-methoxy-1,4-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-2,6-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine;4-[(2S)-1-methylpyrrolidin-2-yl]-2,7-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine

5-(1-benzofuran-2-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;5-methoxy-1,4-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-2,6-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine;4-[(2S)-1-methylpyrrolidin-2-yl]-2,7-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine (PubChem CID 159580822) has the molecular formula C101H128ClN21O5 and a molecular weight of 1751.73 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;5-methoxy-1,4-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-2,6-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine;4-[(2S)-1-methylpyrrolidin-2-yl]-2,7-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine.

Molecular Properties

• Compound Name: 5-(1-benzofuran-2-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;5-methoxy-1,4-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-2,6-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine;4-[(2S)-1-methylpyrrolidin-2-yl]-2,7-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine
• PubChem CID: 159580822
• Molecular Formula: C101H128ClN21O5
• Molecular Weight: 1751.73 g/mol
• Exact Mass: 1750.01
• IUPAC Name: 5-(1-benzofuran-2-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;5-methoxy-1,4-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-2,6-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine;4-[(2S)-1-methylpyrrolidin-2-yl]-2,7-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine
• SMILES: CN1CCC[C@H]1c1cnc(Cl)c2cccnc12.CN1CCC[C@H]1c1cnc2c(c1-c1cc3ccccc3o1)CCCO2.CN1CCC[C@H]1c1cncc2c1CCCN2.CN1CCC[C@H]1c1cncc2c1OCCN2.CN1CCC[C@H]1c1cncc2cnccc12.COc1ncc([C@@H]2CCCN2C)c2c1N(C)CCN2C.COc1ncc([C@@H]2CCCN2C)c2cnccc12
• InChI: InChI=1S/C21H22N2O2.C15H24N4O.C14H17N3O.C13H14ClN3.C13H19N3.C13H15N3.C12H17N3O/c1-23-10-4-8-17(23)16-13-22-21-15(7-5-11-24-21)20(16)19-12-14-6-2-3-9-18(14)25-19;1-17-7-5-6-12(17)11-10-16-15(20-4)14-13(11)18(2)8-9-19(14)3;1-17-7-3-4-13(17)12-9-16-14(18-2)10-5-6-15-8-11(10)12;1-17-7-3-5-11(17)10-8-16-13(14)9-4-2-6-15-12(9)10;1-16-7-3-5-13(16)11-8-14-9-12-10(11)4-2-6-15-12;1-16-6-2-3-13(16)12-9-15-8-10-7-14-5-4-11(10)12;1-15-5-2-3-11(15)9-7-13-8-10-12(9)16-6-4-14-10/h2-3,6,9,12-13,17H,4-5,7-8,10-11H2,1H3;10,12H,5-9H2,1-4H3;5-6,8-9,13H,3-4,7H2,1-2H3;2,4,6,8,11H,3,5,7H2,1H3;8-9,13,15H,2-7H2,1H3;4-5,7-9,13H,2-3,6H2,1H3;7-8,11,14H,2-6H2,1H3/t17-;12-;13-;11-;2*13-;11-/m0000000/s1
• InChIKey: MIZMAMNKYRGCCK-DWTFJDHPSA-N
• XLogP: 18.04
• TPSA: 232.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 10
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1751.73
LogP ≤ 5	18.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;5-methoxy-1,4-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-2,6-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine;4-[(2S)-1-methylpyrrolidin-2-yl]-2,7-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine?

The IUPAC name of 5-(1-benzofuran-2-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;5-methoxy-1,4-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-2,6-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine;4-[(2S)-1-methylpyrrolidin-2-yl]-2,7-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine (CID 159580822) is 5-(1-benzofuran-2-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;5-methoxy-1,4-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-2,6-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine;4-[(2S)-1-methylpyrrolidin-2-yl]-2,7-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine.

What is the SMILES notation for 5-(1-benzofuran-2-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;5-methoxy-1,4-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-2,6-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine;4-[(2S)-1-methylpyrrolidin-2-yl]-2,7-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine?

The canonical SMILES for 5-(1-benzofuran-2-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;5-methoxy-1,4-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-2,6-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine;4-[(2S)-1-methylpyrrolidin-2-yl]-2,7-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine is CN1CCC[C@H]1c1cnc(Cl)c2cccnc12.CN1CCC[C@H]1c1cnc2c(c1-c1cc3ccccc3o1)CCCO2.CN1CCC[C@H]1c1cncc2c1CCCN2.CN1CCC[C@H]1c1cncc2c1OCCN2.CN1CCC[C@H]1c1cncc2cnccc12.COc1ncc([C@@H]2CCCN2C)c2c1N(C)CCN2C.COc1ncc([C@@H]2CCCN2C)c2cnccc12.

What is the InChIKey of 5-(1-benzofuran-2-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;5-methoxy-1,4-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-2,6-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine;4-[(2S)-1-methylpyrrolidin-2-yl]-2,7-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine?

The InChIKey is MIZMAMNKYRGCCK-DWTFJDHPSA-N. The full InChI is InChI=1S/C21H22N2O2.C15H24N4O.C14H17N3O.C13H14ClN3.C13H19N3.C13H15N3.C12H17N3O/c1-23-10-4-8-17(23)16-13-22-21-15(7-5-11-24-21)20(16)19-12-14-6-2-3-9-18(14)25-19;1-17-7-5-6-12(17)11-10-16-15(20-4)14-13(11)18(2)8-9-19(14)3;1-17-7-3-4-13(17)12-9-16-14(18-2)10-5-6-15-8-11(10)12;1-17-7-3-5-11(17)10-8-16-13(14)9-4-2-6-15-12(9)10;1-16-7-3-5-13(16)11-8-14-9-12-10(11)4-2-6-15-12;1-16-6-2-3-13(16)12-9-15-8-10-7-14-5-4-11(10)12;1-15-5-2-3-11(15)9-7-13-8-10-12(9)16-6-4-14-10/h2-3,6,9,12-13,17H,4-5,7-8,10-11H2,1H3;10,12H,5-9H2,1-4H3;5-6,8-9,13H,3-4,7H2,1-2H3;2,4,6,8,11H,3,5,7H2,1H3;8-9,13,15H,2-7H2,1H3;4-5,7-9,13H,2-3,6H2,1H3;7-8,11,14H,2-6H2,1H3/t17-;12-;13-;11-;2*13-;11-/m0000000/s1.

What are the key properties of 5-(1-benzofuran-2-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;5-methoxy-1,4-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-2,6-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine;4-[(2S)-1-methylpyrrolidin-2-yl]-2,7-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine?

5-(1-benzofuran-2-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;5-methoxy-1,4-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-2,6-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine;4-[(2S)-1-methylpyrrolidin-2-yl]-2,7-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine has a molecular weight of 1751.73 g/mol, XLogP of 18.04, 10 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-benzofuran-2-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;5-methoxy-1,4-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-2,6-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine;4-[(2S)-1-methylpyrrolidin-2-yl]-2,7-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine is sourced from PubChem (CID 159580822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).