(5-amino-2-pyridinyl)methanol;2-benzofuran-1,3-dione;2-[6-(hydroxymethyl)-3-pyridinyl]isoindole-1,3-dione;2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-amine;6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]pyridin-3-amine;2-[6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]-3-pyridinyl]isoindole-1,3-dione

C78H61N21O14 — CID 158366575

About (5-amino-2-pyridinyl)methanol;2-benzofuran-1,3-dione;2-[6-(hydroxymethyl)-3-pyridinyl]isoindole-1,3-dione;2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-amine;6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]pyridin-3-amine;2-[6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]-3-pyridinyl]isoindole-1,3-dione

(5-amino-2-pyridinyl)methanol;2-benzofuran-1,3-dione;2-[6-(hydroxymethyl)-3-pyridinyl]isoindole-1,3-dione;2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-amine;6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]pyridin-3-amine;2-[6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]-3-pyridinyl]isoindole-1,3-dione (PubChem CID 158366575) has the molecular formula C78H61N21O14 and a molecular weight of 1516.48 g/mol. Its IUPAC name is (5-amino-2-pyridinyl)methanol;2-benzofuran-1,3-dione;2-[6-(hydroxymethyl)-3-pyridinyl]isoindole-1,3-dione;2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-amine;6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]pyridin-3-amine;2-[6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]-3-pyridinyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: (5-amino-2-pyridinyl)methanol;2-benzofuran-1,3-dione;2-[6-(hydroxymethyl)-3-pyridinyl]isoindole-1,3-dione;2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-amine;6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]pyridin-3-amine;2-[6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]-3-pyridinyl]isoindole-1,3-dione
• PubChem CID: 158366575
• Molecular Formula: C78H61N21O14
• Molecular Weight: 1516.48 g/mol
• Exact Mass: 1515.47
• IUPAC Name: (5-amino-2-pyridinyl)methanol;2-benzofuran-1,3-dione;2-[6-(hydroxymethyl)-3-pyridinyl]isoindole-1,3-dione;2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-amine;6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]pyridin-3-amine;2-[6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]-3-pyridinyl]isoindole-1,3-dione
• SMILES: Cn1cc(-c2nc3cc(N)cnc3o2)cn1.Cn1cc(-c2nc3cc(OCc4ccc(N)cn4)cnc3o2)cn1.Cn1cc(-c2nc3cc(OCc4ccc(N5C(=O)c6ccccc6C5=O)cn4)cnc3o2)cn1.Nc1ccc(CO)nc1.O=C1OC(=O)c2ccccc21.O=C1c2ccccc2C(=O)N1c1ccc(CO)nc1
• InChI: InChI=1S/C24H16N6O4.C16H14N6O2.C14H10N2O3.C10H9N5O.C8H4O3.C6H8N2O/c1-29-12-14(9-27-29)21-28-20-8-17(11-26-22(20)34-21)33-13-15-6-7-16(10-25-15)30-23(31)18-4-2-3-5-19(18)24(30)32;1-22-8-10(5-20-22)15-21-14-4-13(7-19-16(14)24-15)23-9-12-3-2-11(17)6-18-12;17-8-9-5-6-10(7-15-9)16-13(18)11-3-1-2-4-12(11)14(16)19;1-15-5-6(3-13-15)9-14-8-2-7(11)4-12-10(8)16-9;9-7-5-3-1-2-4-6(5)8(10)11-7;7-5-1-2-6(4-9)8-3-5/h2-12H,13H2,1H3;2-8H,9,17H2,1H3;1-7,17H,8H2;2-5H,11H2,1H3;1-4H;1-3,9H,4,7H2
• InChIKey: GUCIKPKRZVYTJF-UHFFFAOYSA-N
• XLogP: 9.31
• TPSA: 476.89 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 13
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1516.48
LogP ≤ 5	9.31
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-pyridinyl)methanol;2-benzofuran-1,3-dione;2-[6-(hydroxymethyl)-3-pyridinyl]isoindole-1,3-dione;2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-amine;6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]pyridin-3-amine;2-[6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]-3-pyridinyl]isoindole-1,3-dione?

The IUPAC name of (5-amino-2-pyridinyl)methanol;2-benzofuran-1,3-dione;2-[6-(hydroxymethyl)-3-pyridinyl]isoindole-1,3-dione;2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-amine;6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]pyridin-3-amine;2-[6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]-3-pyridinyl]isoindole-1,3-dione (CID 158366575) is (5-amino-2-pyridinyl)methanol;2-benzofuran-1,3-dione;2-[6-(hydroxymethyl)-3-pyridinyl]isoindole-1,3-dione;2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-amine;6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]pyridin-3-amine;2-[6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]-3-pyridinyl]isoindole-1,3-dione.

What is the SMILES notation for (5-amino-2-pyridinyl)methanol;2-benzofuran-1,3-dione;2-[6-(hydroxymethyl)-3-pyridinyl]isoindole-1,3-dione;2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-amine;6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]pyridin-3-amine;2-[6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]-3-pyridinyl]isoindole-1,3-dione?

The canonical SMILES for (5-amino-2-pyridinyl)methanol;2-benzofuran-1,3-dione;2-[6-(hydroxymethyl)-3-pyridinyl]isoindole-1,3-dione;2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-amine;6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]pyridin-3-amine;2-[6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]-3-pyridinyl]isoindole-1,3-dione is Cn1cc(-c2nc3cc(N)cnc3o2)cn1.Cn1cc(-c2nc3cc(OCc4ccc(N)cn4)cnc3o2)cn1.Cn1cc(-c2nc3cc(OCc4ccc(N5C(=O)c6ccccc6C5=O)cn4)cnc3o2)cn1.Nc1ccc(CO)nc1.O=C1OC(=O)c2ccccc21.O=C1c2ccccc2C(=O)N1c1ccc(CO)nc1.

What is the InChIKey of (5-amino-2-pyridinyl)methanol;2-benzofuran-1,3-dione;2-[6-(hydroxymethyl)-3-pyridinyl]isoindole-1,3-dione;2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-amine;6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]pyridin-3-amine;2-[6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]-3-pyridinyl]isoindole-1,3-dione?

The InChIKey is GUCIKPKRZVYTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N6O4.C16H14N6O2.C14H10N2O3.C10H9N5O.C8H4O3.C6H8N2O/c1-29-12-14(9-27-29)21-28-20-8-17(11-26-22(20)34-21)33-13-15-6-7-16(10-25-15)30-23(31)18-4-2-3-5-19(18)24(30)32;1-22-8-10(5-20-22)15-21-14-4-13(7-19-16(14)24-15)23-9-12-3-2-11(17)6-18-12;17-8-9-5-6-10(7-15-9)16-13(18)11-3-1-2-4-12(11)14(16)19;1-15-5-6(3-13-15)9-14-8-2-7(11)4-12-10(8)16-9;9-7-5-3-1-2-4-6(5)8(10)11-7;7-5-1-2-6(4-9)8-3-5/h2-12H,13H2,1H3;2-8H,9,17H2,1H3;1-7,17H,8H2;2-5H,11H2,1H3;1-4H;1-3,9H,4,7H2.

What are the key properties of (5-amino-2-pyridinyl)methanol;2-benzofuran-1,3-dione;2-[6-(hydroxymethyl)-3-pyridinyl]isoindole-1,3-dione;2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-amine;6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]pyridin-3-amine;2-[6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]-3-pyridinyl]isoindole-1,3-dione?

(5-amino-2-pyridinyl)methanol;2-benzofuran-1,3-dione;2-[6-(hydroxymethyl)-3-pyridinyl]isoindole-1,3-dione;2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-amine;6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]pyridin-3-amine;2-[6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]-3-pyridinyl]isoindole-1,3-dione has a molecular weight of 1516.48 g/mol, XLogP of 9.31, 13 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (5-amino-2-pyridinyl)methanol;2-benzofuran-1,3-dione;2-[6-(hydroxymethyl)-3-pyridinyl]isoindole-1,3-dione;2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-amine;6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]pyridin-3-amine;2-[6-[[2-(1-methylpyrazol-4-yl)-[1,3]oxazolo[5,4-b]pyridin-6-yl]oxymethyl]-3-pyridinyl]isoindole-1,3-dione is sourced from PubChem (CID 158366575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).