4-(7-bromoimidazo[1,5-a]pyridin-5-yl)-2,2-dimethylpiperazine-1-carboxylic acid

C14H17BrN4O2 — CID 154702349

IUPAC4-(7-bromoimidazo[1,5-a]pyridin-5-yl)-2,2-dimethylpiperazine-1-carboxylic acid
SMILESCC1(C)CN(c2cc(Br)cc3cncn23)CCN1C(=O)O
InChIInChI=1S/C14H17BrN4O2/c1-14(2)8-17(3-4-19(14)13(20)21)12-6-10(15)5-11-7-16-9-18(11)12/h5-7,9H,3-4,8H2,1-2H3,(H,20,21)
InChIKeyWWOKBRVHESZKND-UHFFFAOYSA-N
MW353.22 g/mol
LogP2.68
Rot. Bonds1

About 4-(7-bromoimidazo[1,5-a]pyridin-5-yl)-2,2-dimethylpiperazine-1-carboxylic acid

4-(7-bromoimidazo[1,5-a]pyridin-5-yl)-2,2-dimethylpiperazine-1-carboxylic acid (PubChem CID 154702349) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 4-(7-bromoimidazo[1,5-a]pyridin-5-yl)-2,2-dimethylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(7-bromoimidazo[1,5-a]pyridin-5-yl)-2,2-dimethylpiperazine-1-carboxylic acid
PubChem CID154702349
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name4-(7-bromoimidazo[1,5-a]pyridin-5-yl)-2,2-dimethylpiperazine-1-carboxylic acid
SMILESCC1(C)CN(c2cc(Br)cc3cncn23)CCN1C(=O)O
InChIInChI=1S/C14H17BrN4O2/c1-14(2)8-17(3-4-19(14)13(20)21)12-6-10(15)5-11-7-16-9-18(11)12/h5-7,9H,3-4,8H2,1-2H3,(H,20,21)
InChIKeyWWOKBRVHESZKND-UHFFFAOYSA-N
XLogP2.68
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(7-bromoimidazo[1,5-a]pyridin-5-yl)-2,2-dimethylpiperazine-1-carboxylic acid?
The IUPAC name of 4-(7-bromoimidazo[1,5-a]pyridin-5-yl)-2,2-dimethylpiperazine-1-carboxylic acid (CID 154702349) is 4-(7-bromoimidazo[1,5-a]pyridin-5-yl)-2,2-dimethylpiperazine-1-carboxylic acid.
What is the SMILES notation for 4-(7-bromoimidazo[1,5-a]pyridin-5-yl)-2,2-dimethylpiperazine-1-carboxylic acid?
The canonical SMILES for 4-(7-bromoimidazo[1,5-a]pyridin-5-yl)-2,2-dimethylpiperazine-1-carboxylic acid is CC1(C)CN(c2cc(Br)cc3cncn23)CCN1C(=O)O.
What is the InChIKey of 4-(7-bromoimidazo[1,5-a]pyridin-5-yl)-2,2-dimethylpiperazine-1-carboxylic acid?
The InChIKey is WWOKBRVHESZKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c1-14(2)8-17(3-4-19(14)13(20)21)12-6-10(15)5-11-7-16-9-18(11)12/h5-7,9H,3-4,8H2,1-2H3,(H,20,21).
What are the key properties of 4-(7-bromoimidazo[1,5-a]pyridin-5-yl)-2,2-dimethylpiperazine-1-carboxylic acid?
4-(7-bromoimidazo[1,5-a]pyridin-5-yl)-2,2-dimethylpiperazine-1-carboxylic acid has a molecular weight of 353.22 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-bromoimidazo[1,5-a]pyridin-5-yl)-2,2-dimethylpiperazine-1-carboxylic acid is sourced from PubChem (CID 154702349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).