2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-bromophenyl)acetamide

C22H18BrN3O2 — CID 52906421

IUPAC2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-bromophenyl)acetamide
SMILESO=C(Cn1ccc2ccn(Cc3ccccc3)c2c1=O)Nc1ccccc1Br
InChIInChI=1S/C22H18BrN3O2/c23-18-8-4-5-9-19(18)24-20(27)15-26-13-11-17-10-12-25(21(17)22(26)28)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,27)
InChIKeyZJIYHBGGAMQGKV-UHFFFAOYSA-N
MW436.31 g/mol
LogP4.25
Rot. Bonds5

About 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-bromophenyl)acetamide

2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-bromophenyl)acetamide (PubChem CID 52906421) has the molecular formula C22H18BrN3O2 and a molecular weight of 436.31 g/mol. Its IUPAC name is 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-bromophenyl)acetamide
PubChem CID52906421
Molecular FormulaC22H18BrN3O2
Molecular Weight436.31 g/mol
Exact Mass435.06
IUPAC Name2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-bromophenyl)acetamide
SMILESO=C(Cn1ccc2ccn(Cc3ccccc3)c2c1=O)Nc1ccccc1Br
InChIInChI=1S/C22H18BrN3O2/c23-18-8-4-5-9-19(18)24-20(27)15-26-13-11-17-10-12-25(21(17)22(26)28)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,27)
InChIKeyZJIYHBGGAMQGKV-UHFFFAOYSA-N
XLogP4.25
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.31
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-bromophenyl)acetamide (CID 52906421) is 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-bromophenyl)acetamide is O=C(Cn1ccc2ccn(Cc3ccccc3)c2c1=O)Nc1ccccc1Br.
What is the InChIKey of 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-bromophenyl)acetamide?
The InChIKey is ZJIYHBGGAMQGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O2/c23-18-8-4-5-9-19(18)24-20(27)15-26-13-11-17-10-12-25(21(17)22(26)28)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,27).
What are the key properties of 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-bromophenyl)acetamide?
2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-bromophenyl)acetamide has a molecular weight of 436.31 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 52906421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).