4-(6-amino-3-pyridinyl)oxan-4-ol;2-bromo-5-iodopyridine;4-(6-bromo-3-pyridinyl)oxan-4-ol;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;oxan-4-one

C109H104Br2ClF6IN12O16 — CID 161440665

About 4-(6-amino-3-pyridinyl)oxan-4-ol;2-bromo-5-iodopyridine;4-(6-bromo-3-pyridinyl)oxan-4-ol;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;oxan-4-one

4-(6-amino-3-pyridinyl)oxan-4-ol;2-bromo-5-iodopyridine;4-(6-bromo-3-pyridinyl)oxan-4-ol;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;oxan-4-one (PubChem CID 161440665) has the molecular formula C109H104Br2ClF6IN12O16 and a molecular weight of 2274.25 g/mol. Its IUPAC name is 4-(6-amino-3-pyridinyl)oxan-4-ol;2-bromo-5-iodopyridine;4-(6-bromo-3-pyridinyl)oxan-4-ol;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;oxan-4-one.

Molecular Properties

• Compound Name: 4-(6-amino-3-pyridinyl)oxan-4-ol;2-bromo-5-iodopyridine;4-(6-bromo-3-pyridinyl)oxan-4-ol;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;oxan-4-one
• PubChem CID: 161440665
• Molecular Formula: C109H104Br2ClF6IN12O16
• Molecular Weight: 2274.25 g/mol
• Exact Mass: 2270.47
• IUPAC Name: 4-(6-amino-3-pyridinyl)oxan-4-ol;2-bromo-5-iodopyridine;4-(6-bromo-3-pyridinyl)oxan-4-ol;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;oxan-4-one
• SMILES: Brc1ccc(I)cn1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cc4ccc(C5(O)CCOCC5)cn4)c3C2=O)c(OC)c1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cl)c3C2=O)c(OC)c1.Nc1ccc(C2(O)CCOCC2)cn1.O=C1CCOCC1.O=C1NCc2nc(-c3c(F)cccc3F)cc(Cc3ccc(C4=CCOCC4)cn3)c21.OC1(c2ccc(Br)nc2)CCOCC1
• InChI: InChI=1S/C33H31F2N3O5.C24H19F2N3O2.C22H17ClF2N2O3.C10H12BrNO2.C10H14N2O2.C5H3BrIN.C5H8O2/c1-41-24-9-6-20(29(16-24)42-2)18-38-19-28-30(32(38)39)21(15-27(37-28)31-25(34)4-3-5-26(31)35)14-23-8-7-22(17-36-23)33(40)10-12-43-13-11-33;25-18-2-1-3-19(26)23(18)20-11-16(22-21(29-20)13-28-24(22)30)10-17-5-4-15(12-27-17)14-6-8-31-9-7-14;1-29-13-7-6-12(19(8-13)30-2)10-27-11-18-20(22(27)28)14(23)9-17(26-18)21-15(24)4-3-5-16(21)25;2*11-9-2-1-8(7-12-9)10(13)3-5-14-6-4-10;6-5-2-1-4(7)3-8-5;6-5-1-3-7-4-2-5/h3-9,15-17,40H,10-14,18-19H2,1-2H3;1-6,11-12H,7-10,13H2,(H,28,30);3-9H,10-11H2,1-2H3;1-2,7,13H,3-6H2;1-2,7,13H,3-6H2,(H2,11,12);1-3H;1-4H2
• InChIKey: VZFONRRUGJFOKQ-UHFFFAOYSA-N
• XLogP: 19.42
• TPSA: 359.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2274.25
LogP ≤ 5	19.42
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3-pyridinyl)oxan-4-ol;2-bromo-5-iodopyridine;4-(6-bromo-3-pyridinyl)oxan-4-ol;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;oxan-4-one?

The IUPAC name of 4-(6-amino-3-pyridinyl)oxan-4-ol;2-bromo-5-iodopyridine;4-(6-bromo-3-pyridinyl)oxan-4-ol;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;oxan-4-one (CID 161440665) is 4-(6-amino-3-pyridinyl)oxan-4-ol;2-bromo-5-iodopyridine;4-(6-bromo-3-pyridinyl)oxan-4-ol;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;oxan-4-one.

What is the SMILES notation for 4-(6-amino-3-pyridinyl)oxan-4-ol;2-bromo-5-iodopyridine;4-(6-bromo-3-pyridinyl)oxan-4-ol;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;oxan-4-one?

The canonical SMILES for 4-(6-amino-3-pyridinyl)oxan-4-ol;2-bromo-5-iodopyridine;4-(6-bromo-3-pyridinyl)oxan-4-ol;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;oxan-4-one is Brc1ccc(I)cn1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cc4ccc(C5(O)CCOCC5)cn4)c3C2=O)c(OC)c1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cl)c3C2=O)c(OC)c1.Nc1ccc(C2(O)CCOCC2)cn1.O=C1CCOCC1.O=C1NCc2nc(-c3c(F)cccc3F)cc(Cc3ccc(C4=CCOCC4)cn3)c21.OC1(c2ccc(Br)nc2)CCOCC1.

What is the InChIKey of 4-(6-amino-3-pyridinyl)oxan-4-ol;2-bromo-5-iodopyridine;4-(6-bromo-3-pyridinyl)oxan-4-ol;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;oxan-4-one?

The InChIKey is VZFONRRUGJFOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31F2N3O5.C24H19F2N3O2.C22H17ClF2N2O3.C10H12BrNO2.C10H14N2O2.C5H3BrIN.C5H8O2/c1-41-24-9-6-20(29(16-24)42-2)18-38-19-28-30(32(38)39)21(15-27(37-28)31-25(34)4-3-5-26(31)35)14-23-8-7-22(17-36-23)33(40)10-12-43-13-11-33;25-18-2-1-3-19(26)23(18)20-11-16(22-21(29-20)13-28-24(22)30)10-17-5-4-15(12-27-17)14-6-8-31-9-7-14;1-29-13-7-6-12(19(8-13)30-2)10-27-11-18-20(22(27)28)14(23)9-17(26-18)21-15(24)4-3-5-16(21)25;2*11-9-2-1-8(7-12-9)10(13)3-5-14-6-4-10;6-5-2-1-4(7)3-8-5;6-5-1-3-7-4-2-5/h3-9,15-17,40H,10-14,18-19H2,1-2H3;1-6,11-12H,7-10,13H2,(H,28,30);3-9H,10-11H2,1-2H3;1-2,7,13H,3-6H2;1-2,7,13H,3-6H2,(H2,11,12);1-3H;1-4H2.

What are the key properties of 4-(6-amino-3-pyridinyl)oxan-4-ol;2-bromo-5-iodopyridine;4-(6-bromo-3-pyridinyl)oxan-4-ol;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;oxan-4-one?

4-(6-amino-3-pyridinyl)oxan-4-ol;2-bromo-5-iodopyridine;4-(6-bromo-3-pyridinyl)oxan-4-ol;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;oxan-4-one has a molecular weight of 2274.25 g/mol, XLogP of 19.42, 19 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-amino-3-pyridinyl)oxan-4-ol;2-bromo-5-iodopyridine;4-(6-bromo-3-pyridinyl)oxan-4-ol;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;oxan-4-one is sourced from PubChem (CID 161440665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).