sodium;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;hydroxide

C23H18Br2N7NaO4 — CID 159638474

About sodium;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;hydroxide

sodium;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;hydroxide (PubChem CID 159638474) has the molecular formula C23H18Br2N7NaO4 and a molecular weight of 639.24 g/mol. Its IUPAC name is sodium;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;hydroxide.

Molecular Properties

• Compound Name: sodium;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;hydroxide
• PubChem CID: 159638474
• Molecular Formula: C23H18Br2N7NaO4
• Molecular Weight: 639.24 g/mol
• Exact Mass: 636.97
• IUPAC Name: sodium;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;hydroxide
• SMILES: Brc1cnc2[nH]cc(-c3cnco3)c2c1.CN(C)C(=O)n1cc(-c2cnco2)c2cc(Br)cnc21.[Na+].[OH-]
• InChI: InChI=1S/C13H11BrN4O2.C10H6BrN3O.Na.H2O/c1-17(2)13(19)18-6-10(11-5-15-7-20-11)9-3-8(14)4-16-12(9)18;11-6-1-7-8(9-4-12-5-15-9)3-14-10(7)13-2-6;;/h3-7H,1-2H3;1-5H,(H,13,14);;1H2/q;;+1;/p-1
• InChIKey: MQARMMHACSCRBX-UHFFFAOYSA-M
• XLogP: 2.79
• TPSA: 148.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 2
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	639.24
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of sodium;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;hydroxide?

The IUPAC name of sodium;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;hydroxide (CID 159638474) is sodium;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;hydroxide.

What is the SMILES notation for sodium;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;hydroxide?

The canonical SMILES for sodium;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;hydroxide is Brc1cnc2[nH]cc(-c3cnco3)c2c1.CN(C)C(=O)n1cc(-c2cnco2)c2cc(Br)cnc21.[Na+].[OH-].

What is the InChIKey of sodium;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;hydroxide?

The InChIKey is MQARMMHACSCRBX-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11BrN4O2.C10H6BrN3O.Na.H2O/c1-17(2)13(19)18-6-10(11-5-15-7-20-11)9-3-8(14)4-16-12(9)18;11-6-1-7-8(9-4-12-5-15-9)3-14-10(7)13-2-6;;/h3-7H,1-2H3;1-5H,(H,13,14);;1H2/q;;+1;/p-1.

What are the key properties of sodium;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;hydroxide?

sodium;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;hydroxide has a molecular weight of 639.24 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide;5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole;hydroxide is sourced from PubChem (CID 159638474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).