3-(5-chloro-2-methyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-cyclopropyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2,6-dimethyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;4-[5-(2-hydroxyethyl)-7-oxo-5,8-dihydro-1H-pyrano[4,3-f]isoindol-3-yl]pyridine-2-carbonitrile;5-(2-hydroxyethyl)-3-(2-propan-2-yl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one

C₁₁₉H₁₀₉ClF₃N₁₃O₁₈ — CID 159831675

About 3-(5-chloro-2-methyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-cyclopropyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2,6-dimethyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;4-[5-(2-hydroxyethyl)-7-oxo-5,8-dihydro-1H-pyrano[4,3-f]isoindol-3-yl]pyridine-2-carbonitrile;5-(2-hydroxyethyl)-3-(2-propan-2-yl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one

3-(5-chloro-2-methyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-cyclopropyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2,6-dimethyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;4-[5-(2-hydroxyethyl)-7-oxo-5,8-dihydro-1H-pyrano[4,3-f]isoindol-3-yl]pyridine-2-carbonitrile;5-(2-hydroxyethyl)-3-(2-propan-2-yl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one (PubChem CID 159831675) has the molecular formula C₁₁₉H₁₀₉ClF₃N₁₃O₁₈ and a molecular weight of 2101.70 g/mol. Its IUPAC name is 3-(5-chloro-2-methyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-cyclopropyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2,6-dimethyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;4-[5-(2-hydroxyethyl)-7-oxo-5,8-dihydro-1H-pyrano[4,3-f]isoindol-3-yl]pyridine-2-carbonitrile;5-(2-hydroxyethyl)-3-(2-propan-2-yl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one.

Molecular Properties

• Compound Name: 3-(5-chloro-2-methyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-cyclopropyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2,6-dimethyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;4-[5-(2-hydroxyethyl)-7-oxo-5,8-dihydro-1H-pyrano[4,3-f]isoindol-3-yl]pyridine-2-carbonitrile;5-(2-hydroxyethyl)-3-(2-propan-2-yl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one
• PubChem CID: 159831675
• Molecular Formula: C₁₁₉H₁₀₉ClF₃N₁₃O₁₈
• Molecular Weight: 2101.70 g/mol
• Exact Mass: 2099.77
• IUPAC Name: 3-(5-chloro-2-methyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-cyclopropyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2,6-dimethyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;4-[5-(2-hydroxyethyl)-7-oxo-5,8-dihydro-1H-pyrano[4,3-f]isoindol-3-yl]pyridine-2-carbonitrile;5-(2-hydroxyethyl)-3-(2-propan-2-yl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one
• SMILES: CC(C)c1cc(C2=NCc3cc4c(cc32)C(CCO)OC(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)C(CCO)OC(=O)C4)c(Cl)cn1.Cc1cc(C2=NCc3cc4c(cc32)C(CCO)OC(=O)C4)cc(C)n1.N#Cc1cc(C2=NCc3cc4c(cc32)C(CCO)OC(=O)C4)ccn1.O=C1Cc2cc3c(cc2C(CCO)O1)C(c1ccnc(C(F)(F)F)c1)=NC3.O=C1Cc2cc3c(cc2C(CCO)O1)C(c1ccnc(C2CC2)c1)=NC3
• InChI: InChI=1S/C21H20N2O3.C21H22N2O3.C20H20N2O3.C19H17ClN2O3.C19H15F3N2O3.C19H15N3O3/c24-6-4-19-16-10-17-15(7-14(16)9-20(25)26-19)11-23-21(17)13-3-5-22-18(8-13)12-1-2-12;1-12(2)18-8-13(3-5-22-18)21-17-10-16-14(7-15(17)11-23-21)9-20(25)26-19(16)4-6-24;1-11-5-14(6-12(2)22-11)20-17-9-16-13(7-15(17)10-21-20)8-19(24)25-18(16)3-4-23;1-10-4-15(16(20)9-21-10)19-14-7-13-11(5-12(14)8-22-19)6-18(24)25-17(13)2-3-23;20-19(21,22)16-6-10(1-3-23-16)18-14-8-13-11(5-12(14)9-24-18)7-17(26)27-15(13)2-4-25;20-9-14-6-11(1-3-21-14)19-16-8-15-12(5-13(16)10-22-19)7-18(24)25-17(15)2-4-23/h3,5,7-8,10,12,19,24H,1-2,4,6,9,11H2;3,5,7-8,10,12,19,24H,4,6,9,11H2,1-2H3;5-7,9,18,23H,3-4,8,10H2,1-2H3;4-5,7,9,17,23H,2-3,6,8H2,1H3;1,3,5-6,8,15,25H,2,4,7,9H2;1,3,5-6,8,17,23H,2,4,7,10H2
• InChIKey: NNNPIHFGXYZUBF-UHFFFAOYSA-N
• XLogP: 16.20
• TPSA: 454.47 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2101.70
LogP ≤ 5	16.20
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-cyclopropyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2,6-dimethyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;4-[5-(2-hydroxyethyl)-7-oxo-5,8-dihydro-1H-pyrano[4,3-f]isoindol-3-yl]pyridine-2-carbonitrile;5-(2-hydroxyethyl)-3-(2-propan-2-yl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one?

The IUPAC name of 3-(5-chloro-2-methyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-cyclopropyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2,6-dimethyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;4-[5-(2-hydroxyethyl)-7-oxo-5,8-dihydro-1H-pyrano[4,3-f]isoindol-3-yl]pyridine-2-carbonitrile;5-(2-hydroxyethyl)-3-(2-propan-2-yl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one (CID 159831675) is 3-(5-chloro-2-methyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-cyclopropyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2,6-dimethyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;4-[5-(2-hydroxyethyl)-7-oxo-5,8-dihydro-1H-pyrano[4,3-f]isoindol-3-yl]pyridine-2-carbonitrile;5-(2-hydroxyethyl)-3-(2-propan-2-yl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one.

What is the SMILES notation for 3-(5-chloro-2-methyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-cyclopropyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2,6-dimethyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;4-[5-(2-hydroxyethyl)-7-oxo-5,8-dihydro-1H-pyrano[4,3-f]isoindol-3-yl]pyridine-2-carbonitrile;5-(2-hydroxyethyl)-3-(2-propan-2-yl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one?

The canonical SMILES for 3-(5-chloro-2-methyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-cyclopropyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2,6-dimethyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;4-[5-(2-hydroxyethyl)-7-oxo-5,8-dihydro-1H-pyrano[4,3-f]isoindol-3-yl]pyridine-2-carbonitrile;5-(2-hydroxyethyl)-3-(2-propan-2-yl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one is CC(C)c1cc(C2=NCc3cc4c(cc32)C(CCO)OC(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)C(CCO)OC(=O)C4)c(Cl)cn1.Cc1cc(C2=NCc3cc4c(cc32)C(CCO)OC(=O)C4)cc(C)n1.N#Cc1cc(C2=NCc3cc4c(cc32)C(CCO)OC(=O)C4)ccn1.O=C1Cc2cc3c(cc2C(CCO)O1)C(c1ccnc(C(F)(F)F)c1)=NC3.O=C1Cc2cc3c(cc2C(CCO)O1)C(c1ccnc(C2CC2)c1)=NC3.

What is the InChIKey of 3-(5-chloro-2-methyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-cyclopropyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2,6-dimethyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;4-[5-(2-hydroxyethyl)-7-oxo-5,8-dihydro-1H-pyrano[4,3-f]isoindol-3-yl]pyridine-2-carbonitrile;5-(2-hydroxyethyl)-3-(2-propan-2-yl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one?

The InChIKey is NNNPIHFGXYZUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3.C21H22N2O3.C20H20N2O3.C19H17ClN2O3.C19H15F3N2O3.C19H15N3O3/c24-6-4-19-16-10-17-15(7-14(16)9-20(25)26-19)11-23-21(17)13-3-5-22-18(8-13)12-1-2-12;1-12(2)18-8-13(3-5-22-18)21-17-10-16-14(7-15(17)11-23-21)9-20(25)26-19(16)4-6-24;1-11-5-14(6-12(2)22-11)20-17-9-16-13(7-15(17)10-21-20)8-19(24)25-18(16)3-4-23;1-10-4-15(16(20)9-21-10)19-14-7-13-11(5-12(14)8-22-19)6-18(24)25-17(13)2-3-23;20-19(21,22)16-6-10(1-3-23-16)18-14-8-13-11(5-12(14)9-24-18)7-17(26)27-15(13)2-4-25;20-9-14-6-11(1-3-21-14)19-16-8-15-12(5-13(16)10-22-19)7-18(24)25-17(15)2-4-23/h3,5,7-8,10,12,19,24H,1-2,4,6,9,11H2;3,5,7-8,10,12,19,24H,4,6,9,11H2,1-2H3;5-7,9,18,23H,3-4,8,10H2,1-2H3;4-5,7,9,17,23H,2-3,6,8H2,1H3;1,3,5-6,8,15,25H,2,4,7,9H2;1,3,5-6,8,17,23H,2,4,7,10H2.

What are the key properties of 3-(5-chloro-2-methyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-cyclopropyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2,6-dimethyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;4-[5-(2-hydroxyethyl)-7-oxo-5,8-dihydro-1H-pyrano[4,3-f]isoindol-3-yl]pyridine-2-carbonitrile;5-(2-hydroxyethyl)-3-(2-propan-2-yl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one?

3-(5-chloro-2-methyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-cyclopropyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2,6-dimethyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;4-[5-(2-hydroxyethyl)-7-oxo-5,8-dihydro-1H-pyrano[4,3-f]isoindol-3-yl]pyridine-2-carbonitrile;5-(2-hydroxyethyl)-3-(2-propan-2-yl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one has a molecular weight of 2101.70 g/mol, XLogP of 16.20, 20 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-chloro-2-methyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2-cyclopropyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;3-(2,6-dimethyl-4-pyridinyl)-5-(2-hydroxyethyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;4-[5-(2-hydroxyethyl)-7-oxo-5,8-dihydro-1H-pyrano[4,3-f]isoindol-3-yl]pyridine-2-carbonitrile;5-(2-hydroxyethyl)-3-(2-propan-2-yl-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one;5-(2-hydroxyethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one is sourced from PubChem (CID 159831675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159831675 — identifiers, structure, computed properties (public domain)

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