3,5-dipyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-fluoro-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-[2-(methoxymethyl)phenyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;methyl 2-(7-oxo-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-5-yl)benzoate;5-phenyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one

C128H102FN13O17 — CID 162081572

About 3,5-dipyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-fluoro-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-[2-(methoxymethyl)phenyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;methyl 2-(7-oxo-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-5-yl)benzoate;5-phenyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one

3,5-dipyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-fluoro-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-[2-(methoxymethyl)phenyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;methyl 2-(7-oxo-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-5-yl)benzoate;5-phenyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one (PubChem CID 162081572) has the molecular formula C128H102FN13O17 and a molecular weight of 2113.30 g/mol. Its IUPAC name is 3,5-dipyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-fluoro-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-[2-(methoxymethyl)phenyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;methyl 2-(7-oxo-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-5-yl)benzoate;5-phenyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one.

Molecular Properties

• Compound Name: 3,5-dipyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-fluoro-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-[2-(methoxymethyl)phenyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;methyl 2-(7-oxo-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-5-yl)benzoate;5-phenyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one
• PubChem CID: 162081572
• Molecular Formula: C128H102FN13O17
• Molecular Weight: 2113.30 g/mol
• Exact Mass: 2111.75
• IUPAC Name: 3,5-dipyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-fluoro-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-[2-(methoxymethyl)phenyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;methyl 2-(7-oxo-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-5-yl)benzoate;5-phenyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one
• SMILES: COC(=O)c1ccccc1C1OC(=O)Cc2cc3c(cc21)C(c1ccncc1)=NC3.COCc1ccccc1C1OC(=O)Cc2cc3c(cc21)C(c1ccncc1)=NC3.Cc1cc(C2=NCc3cc4c(cc32)C(CCO)OC(=O)C4)ccn1.O=C1Cc2cc3c(cc2C(CCO)O1)C(c1ccnc(F)c1)=NC3.O=C1Cc2cc3c(cc2C(c2ccccc2)O1)C(c1ccncc1)=NC3.O=C1Cc2cc3c(cc2C(c2ccncc2)O1)C(c1ccncc1)=NC3
• InChI: InChI=1S/C24H18N2O4.C24H20N2O3.C22H16N2O2.C21H15N3O2.C19H18N2O3.C18H15FN2O3/c1-29-24(28)18-5-3-2-4-17(18)23-20-12-19-16(10-15(20)11-21(27)30-23)13-26-22(19)14-6-8-25-9-7-14;1-28-14-16-4-2-3-5-19(16)24-21-12-20-18(10-17(21)11-22(27)29-24)13-26-23(20)15-6-8-25-9-7-15;25-20-11-16-10-17-13-24-21(14-6-8-23-9-7-14)18(17)12-19(16)22(26-20)15-4-2-1-3-5-15;25-19-10-15-9-16-12-24-20(13-1-5-22-6-2-13)17(16)11-18(15)21(26-19)14-3-7-23-8-4-14;1-11-6-12(2-4-20-11)19-16-9-15-13(7-14(16)10-21-19)8-18(23)24-17(15)3-5-22;19-16-6-10(1-3-20-16)18-14-8-13-11(5-12(14)9-21-18)7-17(23)24-15(13)2-4-22/h2-10,12,23H,11,13H2,1H3;2-10,12,24H,11,13-14H2,1H3;1-10,12,22H,11,13H2;1-9,11,21H,10,12H2;2,4,6-7,9,17,22H,3,5,8,10H2,1H3;1,3,5-6,8,15,22H,2,4,7,9H2
• InChIKey: ZCKJMEAUHRTGQM-UHFFFAOYSA-N
• XLogP: 18.17
• TPSA: 398.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 17
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2113.30
LogP ≤ 5	18.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-dipyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-fluoro-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-[2-(methoxymethyl)phenyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;methyl 2-(7-oxo-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-5-yl)benzoate;5-phenyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one?

The IUPAC name of 3,5-dipyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-fluoro-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-[2-(methoxymethyl)phenyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;methyl 2-(7-oxo-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-5-yl)benzoate;5-phenyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one (CID 162081572) is 3,5-dipyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-fluoro-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-[2-(methoxymethyl)phenyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;methyl 2-(7-oxo-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-5-yl)benzoate;5-phenyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one.

What is the SMILES notation for 3,5-dipyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-fluoro-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-[2-(methoxymethyl)phenyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;methyl 2-(7-oxo-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-5-yl)benzoate;5-phenyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one?

The canonical SMILES for 3,5-dipyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-fluoro-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-[2-(methoxymethyl)phenyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;methyl 2-(7-oxo-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-5-yl)benzoate;5-phenyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one is COC(=O)c1ccccc1C1OC(=O)Cc2cc3c(cc21)C(c1ccncc1)=NC3.COCc1ccccc1C1OC(=O)Cc2cc3c(cc21)C(c1ccncc1)=NC3.Cc1cc(C2=NCc3cc4c(cc32)C(CCO)OC(=O)C4)ccn1.O=C1Cc2cc3c(cc2C(CCO)O1)C(c1ccnc(F)c1)=NC3.O=C1Cc2cc3c(cc2C(c2ccccc2)O1)C(c1ccncc1)=NC3.O=C1Cc2cc3c(cc2C(c2ccncc2)O1)C(c1ccncc1)=NC3.

What is the InChIKey of 3,5-dipyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-fluoro-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-[2-(methoxymethyl)phenyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;methyl 2-(7-oxo-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-5-yl)benzoate;5-phenyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one?

The InChIKey is ZCKJMEAUHRTGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4.C24H20N2O3.C22H16N2O2.C21H15N3O2.C19H18N2O3.C18H15FN2O3/c1-29-24(28)18-5-3-2-4-17(18)23-20-12-19-16(10-15(20)11-21(27)30-23)13-26-22(19)14-6-8-25-9-7-14;1-28-14-16-4-2-3-5-19(16)24-21-12-20-18(10-17(21)11-22(27)29-24)13-26-23(20)15-6-8-25-9-7-15;25-20-11-16-10-17-13-24-21(14-6-8-23-9-7-14)18(17)12-19(16)22(26-20)15-4-2-1-3-5-15;25-19-10-15-9-16-12-24-20(13-1-5-22-6-2-13)17(16)11-18(15)21(26-19)14-3-7-23-8-4-14;1-11-6-12(2-4-20-11)19-16-9-15-13(7-14(16)10-21-19)8-18(23)24-17(15)3-5-22;19-16-6-10(1-3-20-16)18-14-8-13-11(5-12(14)9-21-18)7-17(23)24-15(13)2-4-22/h2-10,12,23H,11,13H2,1H3;2-10,12,24H,11,13-14H2,1H3;1-10,12,22H,11,13H2;1-9,11,21H,10,12H2;2,4,6-7,9,17,22H,3,5,8,10H2,1H3;1,3,5-6,8,15,22H,2,4,7,9H2.

What are the key properties of 3,5-dipyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-fluoro-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-[2-(methoxymethyl)phenyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;methyl 2-(7-oxo-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-5-yl)benzoate;5-phenyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one?

3,5-dipyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-fluoro-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-[2-(methoxymethyl)phenyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;methyl 2-(7-oxo-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-5-yl)benzoate;5-phenyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one has a molecular weight of 2113.30 g/mol, XLogP of 18.17, 17 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dipyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-fluoro-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-[2-(methoxymethyl)phenyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;methyl 2-(7-oxo-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-5-yl)benzoate;5-phenyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one is sourced from PubChem (CID 162081572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).