4-(3-bromo-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;sulfur dioxide

C30H24Br2N6O4S — CID 163676153

IUPAC4-(3-bromo-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;sulfur dioxide
SMILESCc1noc(C)c1-c1ccc2c(Br)c[nH]c2n1.Cc1noc(C)c1-c1ccc2c(Br)cn(-c3ccccc3)c2n1.O=S=O
InChIInChI=1S/C18H14BrN3O.C12H10BrN3O.O2S/c1-11-17(12(2)23-21-11)16-9-8-14-15(19)10-22(18(14)20-16)13-6-4-3-5-7-13;1-6-11(7(2)17-16-6)10-4-3-8-9(13)5-14-12(8)15-10;1-3-2/h3-10H,1-2H3;3-5H,1-2H3,(H,14,15);
InChIKeyJGWYLZRGFYYRRI-UHFFFAOYSA-N
MW724.44 g/mol
LogP7.99
Rot. Bonds3

About 4-(3-bromo-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;sulfur dioxide

4-(3-bromo-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;sulfur dioxide (PubChem CID 163676153) has the molecular formula C30H24Br2N6O4S and a molecular weight of 724.44 g/mol. Its IUPAC name is 4-(3-bromo-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;sulfur dioxide.

Molecular Properties

Compound Name4-(3-bromo-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;sulfur dioxide
PubChem CID163676153
Molecular FormulaC30H24Br2N6O4S
Molecular Weight724.44 g/mol
Exact Mass721.99
IUPAC Name4-(3-bromo-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;sulfur dioxide
SMILESCc1noc(C)c1-c1ccc2c(Br)c[nH]c2n1.Cc1noc(C)c1-c1ccc2c(Br)cn(-c3ccccc3)c2n1.O=S=O
InChIInChI=1S/C18H14BrN3O.C12H10BrN3O.O2S/c1-11-17(12(2)23-21-11)16-9-8-14-15(19)10-22(18(14)20-16)13-6-4-3-5-7-13;1-6-11(7(2)17-16-6)10-4-3-8-9(13)5-14-12(8)15-10;1-3-2/h3-10H,1-2H3;3-5H,1-2H3,(H,14,15);
InChIKeyJGWYLZRGFYYRRI-UHFFFAOYSA-N
XLogP7.99
TPSA132.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.44
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(3-bromo-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;sulfur dioxide with MolForge

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Related Compounds

4-[2-(4-fluorophenyl)-3-(3-pyridylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-isoxazole
CID 86267503
[5-(3,5-dimethylisoxazol-4-yl)-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-pyridyl)methanone
CID 86267504
3,5-dimethyl-4-[2-methyl-3-(3-pyridylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]isoxazole
CID 86267305
4-[[5-(3,5-dimethylisoxazol-4-yl)-1-methyl-pyrrolo[2,3-b]pyridin-3-yl]methyl]-N-phenyl-piperidine-1-carboxamide
CID 117628251
3,5-dimethyl-4-[3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole
CID 117634625
2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 134806025
3-phenyl-5-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1,2-oxazole
CID 9841641
[5-(3,5-dimethylisoxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-pyridyl)methanone
CID 86267304
[5-(3,5-dimethylisoxazol-4-yl)-2-methyl-1H-pyrrolo [2,3-b]pyridin-3-yl]-(3-pyridyl)methanone
CID 86267306
US11279703, Table 6.9
CID 148775241
2-N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 71201192
7-[1-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 134530188

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;sulfur dioxide?
The IUPAC name of 4-(3-bromo-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;sulfur dioxide (CID 163676153) is 4-(3-bromo-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;sulfur dioxide.
What is the SMILES notation for 4-(3-bromo-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;sulfur dioxide?
The canonical SMILES for 4-(3-bromo-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;sulfur dioxide is Cc1noc(C)c1-c1ccc2c(Br)c[nH]c2n1.Cc1noc(C)c1-c1ccc2c(Br)cn(-c3ccccc3)c2n1.O=S=O.
What is the InChIKey of 4-(3-bromo-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;sulfur dioxide?
The InChIKey is JGWYLZRGFYYRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O.C12H10BrN3O.O2S/c1-11-17(12(2)23-21-11)16-9-8-14-15(19)10-22(18(14)20-16)13-6-4-3-5-7-13;1-6-11(7(2)17-16-6)10-4-3-8-9(13)5-14-12(8)15-10;1-3-2/h3-10H,1-2H3;3-5H,1-2H3,(H,14,15);.
What are the key properties of 4-(3-bromo-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;sulfur dioxide?
4-(3-bromo-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;sulfur dioxide has a molecular weight of 724.44 g/mol, XLogP of 7.99, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;sulfur dioxide is sourced from PubChem (CID 163676153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).