5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclopropylboronic acid;5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;5-(5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol

C69H77BBr2N18O9 — CID 158150510

About 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclopropylboronic acid;5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;5-(5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol

5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclopropylboronic acid;5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;5-(5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol (PubChem CID 158150510) has the molecular formula C69H77BBr2N18O9 and a molecular weight of 1473.11 g/mol. Its IUPAC name is 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclopropylboronic acid;5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;5-(5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol.

Molecular Properties

• Compound Name: 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclopropylboronic acid;5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;5-(5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol
• PubChem CID: 158150510
• Molecular Formula: C69H77BBr2N18O9
• Molecular Weight: 1473.11 g/mol
• Exact Mass: 1470.46
• IUPAC Name: 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclopropylboronic acid;5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;5-(5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol
• SMILES: Brc1cnc2[nH]ccc2c1.COc1nc(C2=NC(O)C(C)ON2)ccc1-n1cnc(C)c1.COc1nc(C2=NC(c3cn(C)c4ncc(C5CC5)cc34)C(C)ON2)ccc1-n1cnc(C)c1.Cn1ccc2cc(Br)cnc21.Cn1ccc2cc(C3CC3)cnc21.O=CO.OB(O)C1CC1
• InChI: InChI=1S/C25H27N7O2.C14H17N5O3.C11H12N2.C8H7BrN2.C7H5BrN2.C3H7BO2.CH2O2/c1-14-11-32(13-27-14)21-8-7-20(28-25(21)33-4)23-29-22(15(2)34-30-23)19-12-31(3)24-18(19)9-17(10-26-24)16-5-6-16;1-8-6-19(7-15-8)11-5-4-10(16-14(11)21-3)12-17-13(20)9(2)22-18-12;1-13-5-4-9-6-10(8-2-3-8)7-12-11(9)13;1-11-3-2-6-4-7(9)5-10-8(6)11;8-6-3-5-1-2-9-7(5)10-4-6;5-4(6)3-1-2-3;2-1-3/h7-13,15-16,22H,5-6H2,1-4H3,(H,29,30);4-7,9,13,20H,1-3H3,(H,17,18);4-8H,2-3H2,1H3;2-5H,1H3;1-4H,(H,9,10);3,5-6H,1-2H2;1H,(H,2,3)
• InChIKey: FVAWTCDVBSRJGB-UHFFFAOYSA-N
• XLogP: 10.77
• TPSA: 327.25 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 10
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1473.11
LogP ≤ 5	10.77
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclopropylboronic acid;5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;5-(5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol?

The IUPAC name of 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclopropylboronic acid;5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;5-(5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol (CID 158150510) is 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclopropylboronic acid;5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;5-(5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol.

What is the SMILES notation for 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclopropylboronic acid;5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;5-(5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol?

The canonical SMILES for 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclopropylboronic acid;5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;5-(5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol is Brc1cnc2[nH]ccc2c1.COc1nc(C2=NC(O)C(C)ON2)ccc1-n1cnc(C)c1.COc1nc(C2=NC(c3cn(C)c4ncc(C5CC5)cc34)C(C)ON2)ccc1-n1cnc(C)c1.Cn1ccc2cc(Br)cnc21.Cn1ccc2cc(C3CC3)cnc21.O=CO.OB(O)C1CC1.

What is the InChIKey of 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclopropylboronic acid;5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;5-(5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol?

The InChIKey is FVAWTCDVBSRJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2.C14H17N5O3.C11H12N2.C8H7BrN2.C7H5BrN2.C3H7BO2.CH2O2/c1-14-11-32(13-27-14)21-8-7-20(28-25(21)33-4)23-29-22(15(2)34-30-23)19-12-31(3)24-18(19)9-17(10-26-24)16-5-6-16;1-8-6-19(7-15-8)11-5-4-10(16-14(11)21-3)12-17-13(20)9(2)22-18-12;1-13-5-4-9-6-10(8-2-3-8)7-12-11(9)13;1-11-3-2-6-4-7(9)5-10-8(6)11;8-6-3-5-1-2-9-7(5)10-4-6;5-4(6)3-1-2-3;2-1-3/h7-13,15-16,22H,5-6H2,1-4H3,(H,29,30);4-7,9,13,20H,1-3H3,(H,17,18);4-8H,2-3H2,1H3;2-5H,1H3;1-4H,(H,9,10);3,5-6H,1-2H2;1H,(H,2,3).

What are the key properties of 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclopropylboronic acid;5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;5-(5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol?

5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclopropylboronic acid;5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;5-(5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol has a molecular weight of 1473.11 g/mol, XLogP of 10.77, 10 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclopropylboronic acid;5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine;5-(5-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazine;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol is sourced from PubChem (CID 158150510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).