5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-dipyridin-2-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol;dipyridin-2-ylmethanone

C59H45Br2N13O4 — CID 158831682

About 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-dipyridin-2-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol;dipyridin-2-ylmethanone

5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-dipyridin-2-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol;dipyridin-2-ylmethanone (PubChem CID 158831682) has the molecular formula C59H45Br2N13O4 and a molecular weight of 1159.90 g/mol. Its IUPAC name is 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-dipyridin-2-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol;dipyridin-2-ylmethanone.

Molecular Properties

• Compound Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-dipyridin-2-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol;dipyridin-2-ylmethanone
• PubChem CID: 158831682
• Molecular Formula: C59H45Br2N13O4
• Molecular Weight: 1159.90 g/mol
• Exact Mass: 1157.21
• IUPAC Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-dipyridin-2-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol;dipyridin-2-ylmethanone
• SMILES: Brc1cnc2[nH]ccc2c1.Cc1noc(C)c1-c1cnc2[nH]cc(C(O)(c3ccccn3)c3ccccn3)c2c1.O=C(c1ccccn1)c1ccccn1.OC(c1ccccn1)(c1ccccn1)c1c[nH]c2ncc(Br)cc12
• InChI: InChI=1S/C23H19N5O2.C18H13BrN4O.C11H8N2O.C7H5BrN2/c1-14-21(15(2)30-28-14)16-11-17-18(13-27-22(17)26-12-16)23(29,19-7-3-5-9-24-19)20-8-4-6-10-25-20;19-12-9-13-14(11-23-17(13)22-10-12)18(24,15-5-1-3-7-20-15)16-6-2-4-8-21-16;14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10;8-6-3-5-1-2-9-7(5)10-4-6/h3-13,29H,1-2H3,(H,26,27);1-11,24H,(H,22,23);1-8H;1-4H,(H,9,10)
• InChIKey: IXCUGBFBRYDHOQ-UHFFFAOYSA-N
• XLogP: 11.34
• TPSA: 246.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1159.90
LogP ≤ 5	11.34
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-dipyridin-2-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol;dipyridin-2-ylmethanone?

The IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-dipyridin-2-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol;dipyridin-2-ylmethanone (CID 158831682) is 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-dipyridin-2-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol;dipyridin-2-ylmethanone.

What is the SMILES notation for 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-dipyridin-2-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol;dipyridin-2-ylmethanone?

The canonical SMILES for 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-dipyridin-2-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol;dipyridin-2-ylmethanone is Brc1cnc2[nH]ccc2c1.Cc1noc(C)c1-c1cnc2[nH]cc(C(O)(c3ccccn3)c3ccccn3)c2c1.O=C(c1ccccn1)c1ccccn1.OC(c1ccccn1)(c1ccccn1)c1c[nH]c2ncc(Br)cc12.

What is the InChIKey of 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-dipyridin-2-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol;dipyridin-2-ylmethanone?

The InChIKey is IXCUGBFBRYDHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2.C18H13BrN4O.C11H8N2O.C7H5BrN2/c1-14-21(15(2)30-28-14)16-11-17-18(13-27-22(17)26-12-16)23(29,19-7-3-5-9-24-19)20-8-4-6-10-25-20;19-12-9-13-14(11-23-17(13)22-10-12)18(24,15-5-1-3-7-20-15)16-6-2-4-8-21-16;14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10;8-6-3-5-1-2-9-7(5)10-4-6/h3-13,29H,1-2H3,(H,26,27);1-11,24H,(H,22,23);1-8H;1-4H,(H,9,10).

What are the key properties of 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-dipyridin-2-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol;dipyridin-2-ylmethanone?

5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-dipyridin-2-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol;dipyridin-2-ylmethanone has a molecular weight of 1159.90 g/mol, XLogP of 11.34, 9 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-dipyridin-2-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol;dipyridin-2-ylmethanone is sourced from PubChem (CID 158831682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).