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;methane;hydroxide

C25H26Br2N7NaO4 — CID 159063876

IUPACsodium;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;methane;hydroxide
SMILESBrc1cnc2[nH]cc(-c3cnco3)c2c1.C.C.CN(C)C(=O)n1cc(-c2cnco2)c2cc(Br)cnc21.[Na+].[OH-]
InChIInChI=1S/C13H11BrN4O2.C10H6BrN3O.2CH4.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);2*1H4;;1H2/q;;;;+1;/p-1
InChIKeyJYUQUPBQWGXSKS-UHFFFAOYSA-M
MW671.33 g/mol
LogP4.06
Rot. Bonds2

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;methane;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;methane;hydroxide (PubChem CID 159063876) has the molecular formula C25H26Br2N7NaO4 and a molecular weight of 671.33 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;methane;hydroxide.

Molecular Properties

Compound Namesodium;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;methane;hydroxide
PubChem CID159063876
Molecular FormulaC25H26Br2N7NaO4
Molecular Weight671.33 g/mol
Exact Mass669.03
IUPAC Namesodium;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;methane;hydroxide
SMILESBrc1cnc2[nH]cc(-c3cnco3)c2c1.C.C.CN(C)C(=O)n1cc(-c2cnco2)c2cc(Br)cnc21.[Na+].[OH-]
InChIInChI=1S/C13H11BrN4O2.C10H6BrN3O.2CH4.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);2*1H4;;1H2/q;;;;+1;/p-1
InChIKeyJYUQUPBQWGXSKS-UHFFFAOYSA-M
XLogP4.06
TPSA148.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500671.33
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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;methane;hydroxide with MolForge

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Related Compounds

4-bromo-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
CID 155227522
5-bromo-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide
CID 9997933
1H-Pyrrolo[2,3-b]pyridine-1-carboxamide, 5-bromo-N,N-dimethyl-3-(5-oxazolyl)-
CID 11724479
[5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane
CID 58758496
1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone
CID 59811903
1H-Pyrrolo[2,3-b]pyridine, 5-bromo-3-(5-oxazolyl)-
CID 59811938
5-Bromo-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxylic acid
CID 69730905
1-[5-Bromo-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone
CID 70343820
CID 89162366
CID 89162366
CID 89162375
CID 89162375
3-[[[3-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-en-1-yl]amino]methyl]but-3-en-2-one
CID 129093812
1-[3-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-en-1-yl]but-3-en-2-one
CID 147967205

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;methane;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;methane;hydroxide (CID 159063876) 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;methane;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;methane;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;methane;hydroxide is Brc1cnc2[nH]cc(-c3cnco3)c2c1.C.C.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;methane;hydroxide?
The InChIKey is JYUQUPBQWGXSKS-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11BrN4O2.C10H6BrN3O.2CH4.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);2*1H4;;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;methane;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;methane;hydroxide has a molecular weight of 671.33 g/mol, XLogP of 4.06, 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;methane;hydroxide is sourced from PubChem (CID 159063876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).