5-(3-bromo-6-methyl-2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C21H15BrN4O — CID 122654489

IUPAC5-(3-bromo-6-methyl-2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCc1ccc2c(Br)c(-c3ccccc3)n(-c3cnc4c(c3)CC(=O)N4)c2n1
InChIInChI=1S/C21H15BrN4O/c1-12-7-8-16-18(22)19(13-5-3-2-4-6-13)26(21(16)24-12)15-9-14-10-17(27)25-20(14)23-11-15/h2-9,11H,10H2,1H3,(H,23,25,27)
InChIKeyYKOFNGVDUVMOKS-UHFFFAOYSA-N
MW419.28 g/mol
LogP4.65
Rot. Bonds2

About 5-(3-bromo-6-methyl-2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

5-(3-bromo-6-methyl-2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 122654489) has the molecular formula C21H15BrN4O and a molecular weight of 419.28 g/mol. Its IUPAC name is 5-(3-bromo-6-methyl-2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5-(3-bromo-6-methyl-2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID122654489
Molecular FormulaC21H15BrN4O
Molecular Weight419.28 g/mol
Exact Mass418.04
IUPAC Name5-(3-bromo-6-methyl-2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCc1ccc2c(Br)c(-c3ccccc3)n(-c3cnc4c(c3)CC(=O)N4)c2n1
InChIInChI=1S/C21H15BrN4O/c1-12-7-8-16-18(22)19(13-5-3-2-4-6-13)26(21(16)24-12)15-9-14-10-17(27)25-20(14)23-11-15/h2-9,11H,10H2,1H3,(H,23,25,27)
InChIKeyYKOFNGVDUVMOKS-UHFFFAOYSA-N
XLogP4.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-6-methyl-2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 5-(3-bromo-6-methyl-2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 122654489) is 5-(3-bromo-6-methyl-2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 5-(3-bromo-6-methyl-2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 5-(3-bromo-6-methyl-2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is Cc1ccc2c(Br)c(-c3ccccc3)n(-c3cnc4c(c3)CC(=O)N4)c2n1.
What is the InChIKey of 5-(3-bromo-6-methyl-2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is YKOFNGVDUVMOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN4O/c1-12-7-8-16-18(22)19(13-5-3-2-4-6-13)26(21(16)24-12)15-9-14-10-17(27)25-20(14)23-11-15/h2-9,11H,10H2,1H3,(H,23,25,27).
What are the key properties of 5-(3-bromo-6-methyl-2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
5-(3-bromo-6-methyl-2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 419.28 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-6-methyl-2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 122654489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).