6-bromo-1-(2-piperazin-1-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one

C12H16BrN5O — CID 67077631

IUPAC6-bromo-1-(2-piperazin-1-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(Br)cc2n1CCN1CCNCC1
InChIInChI=1S/C12H16BrN5O/c13-9-7-10-11(15-8-9)16-12(19)18(10)6-5-17-3-1-14-2-4-17/h7-8,14H,1-6H2,(H,15,16,19)
InChIKeyPEBPXXQEAZOISX-UHFFFAOYSA-N
MW326.20 g/mol
LogP0.39
Rot. Bonds3

About 6-bromo-1-(2-piperazin-1-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one

6-bromo-1-(2-piperazin-1-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 67077631) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is 6-bromo-1-(2-piperazin-1-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-bromo-1-(2-piperazin-1-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID67077631
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name6-bromo-1-(2-piperazin-1-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(Br)cc2n1CCN1CCNCC1
InChIInChI=1S/C12H16BrN5O/c13-9-7-10-11(15-8-9)16-12(19)18(10)6-5-17-3-1-14-2-4-17/h7-8,14H,1-6H2,(H,15,16,19)
InChIKeyPEBPXXQEAZOISX-UHFFFAOYSA-N
XLogP0.39
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(2-piperazin-1-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-bromo-1-(2-piperazin-1-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one (CID 67077631) is 6-bromo-1-(2-piperazin-1-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-bromo-1-(2-piperazin-1-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-bromo-1-(2-piperazin-1-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ncc(Br)cc2n1CCN1CCNCC1.
What is the InChIKey of 6-bromo-1-(2-piperazin-1-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is PEBPXXQEAZOISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c13-9-7-10-11(15-8-9)16-12(19)18(10)6-5-17-3-1-14-2-4-17/h7-8,14H,1-6H2,(H,15,16,19).
What are the key properties of 6-bromo-1-(2-piperazin-1-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
6-bromo-1-(2-piperazin-1-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 326.20 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(2-piperazin-1-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 67077631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).