3-(1-bromoimidazo[1,5-a]pyridin-6-yl)-2,2-dimethyl-3-phenylpropanoic acid

C18H17BrN2O2 — CID 59419638

IUPAC3-(1-bromoimidazo[1,5-a]pyridin-6-yl)-2,2-dimethyl-3-phenylpropanoic acid
SMILESCC(C)(C(=O)O)C(c1ccccc1)c1ccc2c(Br)ncn2c1
InChIInChI=1S/C18H17BrN2O2/c1-18(2,17(22)23)15(12-6-4-3-5-7-12)13-8-9-14-16(19)20-11-21(14)10-13/h3-11,15H,1-2H3,(H,22,23)
InChIKeyOBOGULBCVUEXMN-UHFFFAOYSA-N
MW373.25 g/mol
LogP4.34
Rot. Bonds4

About 3-(1-bromoimidazo[1,5-a]pyridin-6-yl)-2,2-dimethyl-3-phenylpropanoic acid

3-(1-bromoimidazo[1,5-a]pyridin-6-yl)-2,2-dimethyl-3-phenylpropanoic acid (PubChem CID 59419638) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 3-(1-bromoimidazo[1,5-a]pyridin-6-yl)-2,2-dimethyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(1-bromoimidazo[1,5-a]pyridin-6-yl)-2,2-dimethyl-3-phenylpropanoic acid
PubChem CID59419638
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name3-(1-bromoimidazo[1,5-a]pyridin-6-yl)-2,2-dimethyl-3-phenylpropanoic acid
SMILESCC(C)(C(=O)O)C(c1ccccc1)c1ccc2c(Br)ncn2c1
InChIInChI=1S/C18H17BrN2O2/c1-18(2,17(22)23)15(12-6-4-3-5-7-12)13-8-9-14-16(19)20-11-21(14)10-13/h3-11,15H,1-2H3,(H,22,23)
InChIKeyOBOGULBCVUEXMN-UHFFFAOYSA-N
XLogP4.34
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-bromoimidazo[1,5-a]pyridin-6-yl)-2,2-dimethyl-3-phenylpropanoic acid?
The IUPAC name of 3-(1-bromoimidazo[1,5-a]pyridin-6-yl)-2,2-dimethyl-3-phenylpropanoic acid (CID 59419638) is 3-(1-bromoimidazo[1,5-a]pyridin-6-yl)-2,2-dimethyl-3-phenylpropanoic acid.
What is the SMILES notation for 3-(1-bromoimidazo[1,5-a]pyridin-6-yl)-2,2-dimethyl-3-phenylpropanoic acid?
The canonical SMILES for 3-(1-bromoimidazo[1,5-a]pyridin-6-yl)-2,2-dimethyl-3-phenylpropanoic acid is CC(C)(C(=O)O)C(c1ccccc1)c1ccc2c(Br)ncn2c1.
What is the InChIKey of 3-(1-bromoimidazo[1,5-a]pyridin-6-yl)-2,2-dimethyl-3-phenylpropanoic acid?
The InChIKey is OBOGULBCVUEXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-18(2,17(22)23)15(12-6-4-3-5-7-12)13-8-9-14-16(19)20-11-21(14)10-13/h3-11,15H,1-2H3,(H,22,23).
What are the key properties of 3-(1-bromoimidazo[1,5-a]pyridin-6-yl)-2,2-dimethyl-3-phenylpropanoic acid?
3-(1-bromoimidazo[1,5-a]pyridin-6-yl)-2,2-dimethyl-3-phenylpropanoic acid has a molecular weight of 373.25 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromoimidazo[1,5-a]pyridin-6-yl)-2,2-dimethyl-3-phenylpropanoic acid is sourced from PubChem (CID 59419638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).