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

C77H105ClN14O3 — CID 157367530

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

5-(1-benzofuran-2-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;1,4,5-trimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine (PubChem CID 157367530) has the molecular formula C77H105ClN14O3 and a molecular weight of 1310.23 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;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;1,4,5-trimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine.

Molecular Properties

• Compound Name: 5-(1-benzofuran-2-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;1,4,5-trimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine
• PubChem CID: 157367530
• Molecular Formula: C77H105ClN14O3
• Molecular Weight: 1310.23 g/mol
• Exact Mass: 1308.82
• IUPAC Name: 5-(1-benzofuran-2-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;1,4,5-trimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine
• SMILES: CN1CCC[C@H]1c1cnc(Cl)c2c1CCCO2.CN1CCC[C@H]1c1cnc2c(c1-c1cc3ccccc3o1)CCCO2.CN1CCC[C@H]1c1cncc2c1CCCN2.Cc1ncc([C@@H]2CCCN2C)c2c1CCCN2C.Cc1ncc([C@@H]2CCCN2C)c2c1N(C)CCN2C
• InChI: InChI=1S/C21H22N2O2.C15H24N4.C15H23N3.C13H17ClN2O.C13H19N3/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;1-11-14-15(19(4)9-8-18(14)3)12(10-16-11)13-6-5-7-17(13)2;1-11-12-6-4-9-18(3)15(12)13(10-16-11)14-7-5-8-17(14)2;1-16-6-2-5-11(16)10-8-15-13(14)12-9(10)4-3-7-17-12;1-16-7-3-5-13(16)11-8-14-9-12-10(11)4-2-6-15-12/h2-3,6,9,12-13,17H,4-5,7-8,10-11H2,1H3;10,13H,5-9H2,1-4H3;10,14H,4-9H2,1-3H3;8,11H,2-7H2,1H3;8-9,13,15H,2-7H2,1H3/t17-;13-;14-;11-;13-/m00000/s1
• InChIKey: BJJDHNQTZDSXBG-HKBSZYNFSA-N
• XLogP: 14.20
• TPSA: 134.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 6
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1310.23
LogP ≤ 5	14.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

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

The IUPAC name of 5-(1-benzofuran-2-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;1,4,5-trimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine (CID 157367530) is 5-(1-benzofuran-2-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;1,4,5-trimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine.

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

The canonical SMILES for 5-(1-benzofuran-2-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;1,4,5-trimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine is CN1CCC[C@H]1c1cnc(Cl)c2c1CCCO2.CN1CCC[C@H]1c1cnc2c(c1-c1cc3ccccc3o1)CCCO2.CN1CCC[C@H]1c1cncc2c1CCCN2.Cc1ncc([C@@H]2CCCN2C)c2c1CCCN2C.Cc1ncc([C@@H]2CCCN2C)c2c1N(C)CCN2C.

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

The InChIKey is BJJDHNQTZDSXBG-HKBSZYNFSA-N. The full InChI is InChI=1S/C21H22N2O2.C15H24N4.C15H23N3.C13H17ClN2O.C13H19N3/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;1-11-14-15(19(4)9-8-18(14)3)12(10-16-11)13-6-5-7-17(13)2;1-11-12-6-4-9-18(3)15(12)13(10-16-11)14-7-5-8-17(14)2;1-16-6-2-5-11(16)10-8-15-13(14)12-9(10)4-3-7-17-12;1-16-7-3-5-13(16)11-8-14-9-12-10(11)4-2-6-15-12/h2-3,6,9,12-13,17H,4-5,7-8,10-11H2,1H3;10,13H,5-9H2,1-4H3;10,14H,4-9H2,1-3H3;8,11H,2-7H2,1H3;8-9,13,15H,2-7H2,1H3/t17-;13-;14-;11-;13-/m00000/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;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;1,4,5-trimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine?

5-(1-benzofuran-2-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;1,4,5-trimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine has a molecular weight of 1310.23 g/mol, XLogP of 14.20, 6 rotatable bonds, 1 hydrogen bond donors, and 17 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;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;1,4,5-trimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine is sourced from PubChem (CID 157367530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).