2-bromo-4-methoxy-N-(1-phenylimidazo[4,5-b]pyridin-2-yl)benzamide

C20H15BrN4O2 — CID 169309374

IUPAC2-bromo-4-methoxy-N-(1-phenylimidazo[4,5-b]pyridin-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc3ncccc3n2-c2ccccc2)c(Br)c1
InChIInChI=1S/C20H15BrN4O2/c1-27-14-9-10-15(16(21)12-14)19(26)24-20-23-18-17(8-5-11-22-18)25(20)13-6-3-2-4-7-13/h2-12H,1H3,(H,22,23,24,26)
InChIKeyQYUMKGCGFXPJBS-UHFFFAOYSA-N
MW423.27 g/mol
LogP4.44
Rot. Bonds4

About 2-bromo-4-methoxy-N-(1-phenylimidazo[4,5-b]pyridin-2-yl)benzamide

2-bromo-4-methoxy-N-(1-phenylimidazo[4,5-b]pyridin-2-yl)benzamide (PubChem CID 169309374) has the molecular formula C20H15BrN4O2 and a molecular weight of 423.27 g/mol. Its IUPAC name is 2-bromo-4-methoxy-N-(1-phenylimidazo[4,5-b]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-methoxy-N-(1-phenylimidazo[4,5-b]pyridin-2-yl)benzamide
PubChem CID169309374
Molecular FormulaC20H15BrN4O2
Molecular Weight423.27 g/mol
Exact Mass422.04
IUPAC Name2-bromo-4-methoxy-N-(1-phenylimidazo[4,5-b]pyridin-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc3ncccc3n2-c2ccccc2)c(Br)c1
InChIInChI=1S/C20H15BrN4O2/c1-27-14-9-10-15(16(21)12-14)19(26)24-20-23-18-17(8-5-11-22-18)25(20)13-6-3-2-4-7-13/h2-12H,1H3,(H,22,23,24,26)
InChIKeyQYUMKGCGFXPJBS-UHFFFAOYSA-N
XLogP4.44
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.27
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxy-N-(1-phenylimidazo[4,5-b]pyridin-2-yl)benzamide?
The IUPAC name of 2-bromo-4-methoxy-N-(1-phenylimidazo[4,5-b]pyridin-2-yl)benzamide (CID 169309374) is 2-bromo-4-methoxy-N-(1-phenylimidazo[4,5-b]pyridin-2-yl)benzamide.
What is the SMILES notation for 2-bromo-4-methoxy-N-(1-phenylimidazo[4,5-b]pyridin-2-yl)benzamide?
The canonical SMILES for 2-bromo-4-methoxy-N-(1-phenylimidazo[4,5-b]pyridin-2-yl)benzamide is COc1ccc(C(=O)Nc2nc3ncccc3n2-c2ccccc2)c(Br)c1.
What is the InChIKey of 2-bromo-4-methoxy-N-(1-phenylimidazo[4,5-b]pyridin-2-yl)benzamide?
The InChIKey is QYUMKGCGFXPJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O2/c1-27-14-9-10-15(16(21)12-14)19(26)24-20-23-18-17(8-5-11-22-18)25(20)13-6-3-2-4-7-13/h2-12H,1H3,(H,22,23,24,26).
What are the key properties of 2-bromo-4-methoxy-N-(1-phenylimidazo[4,5-b]pyridin-2-yl)benzamide?
2-bromo-4-methoxy-N-(1-phenylimidazo[4,5-b]pyridin-2-yl)benzamide has a molecular weight of 423.27 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxy-N-(1-phenylimidazo[4,5-b]pyridin-2-yl)benzamide is sourced from PubChem (CID 169309374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).