7-[2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]azepan-2-one

C14H17BrN4O — CID 68502662

IUPAC7-[2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]azepan-2-one
SMILESO=C1CCCCC(CCc2nc3ncc(Br)cc3[nH]2)N1
InChIInChI=1S/C14H17BrN4O/c15-9-7-11-14(16-8-9)19-12(18-11)6-5-10-3-1-2-4-13(20)17-10/h7-8,10H,1-6H2,(H,17,20)(H,16,18,19)
InChIKeyPFNQSUQQKMBKRE-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.71
Rot. Bonds3

About 7-[2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]azepan-2-one

7-[2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]azepan-2-one (PubChem CID 68502662) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 7-[2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]azepan-2-one.

Molecular Properties

Compound Name7-[2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]azepan-2-one
PubChem CID68502662
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name7-[2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]azepan-2-one
SMILESO=C1CCCCC(CCc2nc3ncc(Br)cc3[nH]2)N1
InChIInChI=1S/C14H17BrN4O/c15-9-7-11-14(16-8-9)19-12(18-11)6-5-10-3-1-2-4-13(20)17-10/h7-8,10H,1-6H2,(H,17,20)(H,16,18,19)
InChIKeyPFNQSUQQKMBKRE-UHFFFAOYSA-N
XLogP2.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 911578
CID 911578
CID 342996
CID 342996
CID 70681032
CID 70681032
CID 665096
CID 665096
CID 54595385
CID 54595385
CID 60176182
CID 60176182
CID 60179802
CID 60179802
CID 56839810
CID 56839810
CID 60176129
CID 60176129
CID 60176749
CID 60176749
CID 60179173
CID 60179173
CID 155526697
CID 155526697

Frequently Asked Questions

What is the IUPAC name of 7-[2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]azepan-2-one?
The IUPAC name of 7-[2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]azepan-2-one (CID 68502662) is 7-[2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]azepan-2-one.
What is the SMILES notation for 7-[2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]azepan-2-one?
The canonical SMILES for 7-[2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]azepan-2-one is O=C1CCCCC(CCc2nc3ncc(Br)cc3[nH]2)N1.
What is the InChIKey of 7-[2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]azepan-2-one?
The InChIKey is PFNQSUQQKMBKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c15-9-7-11-14(16-8-9)19-12(18-11)6-5-10-3-1-2-4-13(20)17-10/h7-8,10H,1-6H2,(H,17,20)(H,16,18,19).
What are the key properties of 7-[2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]azepan-2-one?
7-[2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]azepan-2-one has a molecular weight of 337.22 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]azepan-2-one is sourced from PubChem (CID 68502662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).