(3,5-dibromo-4-methylphenyl)-[5,6,7,8-tetradeuterio-2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methanone

C17H14Br2N2O2 — CID 167663431

IUPAC(3,5-dibromo-4-methylphenyl)-[5,6,7,8-tetradeuterio-2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILES[2H]c1c([2H])c([2H])n2c(C(=O)c3cc(Br)c(C)c(Br)c3)c(C(C)O)nc2c1[2H]
InChIInChI=1S/C17H14Br2N2O2/c1-9-12(18)7-11(8-13(9)19)17(23)16-15(10(2)22)20-14-5-3-4-6-21(14)16/h3-8,10,22H,1-2H3/i3D,4D,5D,6D
InChIKeyBATWPMLQVVHIQR-LNFUJOGGSA-N
MW442.14 g/mol
LogP4.45
Rot. Bonds3

About (3,5-dibromo-4-methylphenyl)-[5,6,7,8-tetradeuterio-2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methanone

(3,5-dibromo-4-methylphenyl)-[5,6,7,8-tetradeuterio-2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methanone (PubChem CID 167663431) has the molecular formula C17H14Br2N2O2 and a molecular weight of 442.14 g/mol. Its IUPAC name is (3,5-dibromo-4-methylphenyl)-[5,6,7,8-tetradeuterio-2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methanone.

Molecular Properties

Compound Name(3,5-dibromo-4-methylphenyl)-[5,6,7,8-tetradeuterio-2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methanone
PubChem CID167663431
Molecular FormulaC17H14Br2N2O2
Molecular Weight442.14 g/mol
Exact Mass439.97
IUPAC Name(3,5-dibromo-4-methylphenyl)-[5,6,7,8-tetradeuterio-2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILES[2H]c1c([2H])c([2H])n2c(C(=O)c3cc(Br)c(C)c(Br)c3)c(C(C)O)nc2c1[2H]
InChIInChI=1S/C17H14Br2N2O2/c1-9-12(18)7-11(8-13(9)19)17(23)16-15(10(2)22)20-14-5-3-4-6-21(14)16/h3-8,10,22H,1-2H3/i3D,4D,5D,6D
InChIKeyBATWPMLQVVHIQR-LNFUJOGGSA-N
XLogP4.45
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.14
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3,5-dibromo-4-methylphenyl)-[5,6,7,8-tetradeuterio-2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-4-methylphenyl)-[5,6,7,8-tetradeuterio-2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The IUPAC name of (3,5-dibromo-4-methylphenyl)-[5,6,7,8-tetradeuterio-2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methanone (CID 167663431) is (3,5-dibromo-4-methylphenyl)-[5,6,7,8-tetradeuterio-2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methanone.
What is the SMILES notation for (3,5-dibromo-4-methylphenyl)-[5,6,7,8-tetradeuterio-2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The canonical SMILES for (3,5-dibromo-4-methylphenyl)-[5,6,7,8-tetradeuterio-2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methanone is [2H]c1c([2H])c([2H])n2c(C(=O)c3cc(Br)c(C)c(Br)c3)c(C(C)O)nc2c1[2H].
What is the InChIKey of (3,5-dibromo-4-methylphenyl)-[5,6,7,8-tetradeuterio-2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The InChIKey is BATWPMLQVVHIQR-LNFUJOGGSA-N. The full InChI is InChI=1S/C17H14Br2N2O2/c1-9-12(18)7-11(8-13(9)19)17(23)16-15(10(2)22)20-14-5-3-4-6-21(14)16/h3-8,10,22H,1-2H3/i3D,4D,5D,6D.
What are the key properties of (3,5-dibromo-4-methylphenyl)-[5,6,7,8-tetradeuterio-2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
(3,5-dibromo-4-methylphenyl)-[5,6,7,8-tetradeuterio-2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methanone has a molecular weight of 442.14 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-4-methylphenyl)-[5,6,7,8-tetradeuterio-2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]methanone is sourced from PubChem (CID 167663431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).