(5-bromoimidazo[1,2-a]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol;N-(2-hydroxyethyl)-3-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]benzamide

C39H30BrF6N5O4 — CID 87302426

IUPAC(5-bromoimidazo[1,2-a]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol;N-(2-hydroxyethyl)-3-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]benzamide
SMILESO=C(NCCO)c1cccc(-c2cccc3nc(C(O)c4cccc(C(F)(F)F)c4)cn23)c1.OC(c1cccc(C(F)(F)F)c1)c1cn2c(Br)cccc2n1
InChIInChI=1S/C24H20F3N3O3.C15H10BrF3N2O/c25-24(26,27)18-7-2-5-16(13-18)22(32)19-14-30-20(8-3-9-21(30)29-19)15-4-1-6-17(12-15)23(33)28-10-11-31;16-12-5-2-6-13-20-11(8-21(12)13)14(22)9-3-1-4-10(7-9)15(17,18)19/h1-9,12-14,22,31-32H,10-11H2,(H,28,33);1-8,14,22H
InChIKeyGBESZNKCRJAGJQ-UHFFFAOYSA-N
MW826.59 g/mol
LogP8.02
Rot. Bonds8

About (5-bromoimidazo[1,2-a]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol;N-(2-hydroxyethyl)-3-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]benzamide

(5-bromoimidazo[1,2-a]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol;N-(2-hydroxyethyl)-3-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]benzamide (PubChem CID 87302426) has the molecular formula C39H30BrF6N5O4 and a molecular weight of 826.59 g/mol. Its IUPAC name is (5-bromoimidazo[1,2-a]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol;N-(2-hydroxyethyl)-3-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name(5-bromoimidazo[1,2-a]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol;N-(2-hydroxyethyl)-3-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]benzamide
PubChem CID87302426
Molecular FormulaC39H30BrF6N5O4
Molecular Weight826.59 g/mol
Exact Mass825.14
IUPAC Name(5-bromoimidazo[1,2-a]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol;N-(2-hydroxyethyl)-3-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]benzamide
SMILESO=C(NCCO)c1cccc(-c2cccc3nc(C(O)c4cccc(C(F)(F)F)c4)cn23)c1.OC(c1cccc(C(F)(F)F)c1)c1cn2c(Br)cccc2n1
InChIInChI=1S/C24H20F3N3O3.C15H10BrF3N2O/c25-24(26,27)18-7-2-5-16(13-18)22(32)19-14-30-20(8-3-9-21(30)29-19)15-4-1-6-17(12-15)23(33)28-10-11-31;16-12-5-2-6-13-20-11(8-21(12)13)14(22)9-3-1-4-10(7-9)15(17,18)19/h1-9,12-14,22,31-32H,10-11H2,(H,28,33);1-8,14,22H
InChIKeyGBESZNKCRJAGJQ-UHFFFAOYSA-N
XLogP8.02
TPSA124.39 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.59
LogP ≤ 58.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (5-bromoimidazo[1,2-a]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol;N-(2-hydroxyethyl)-3-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]benzamide 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 (5-bromoimidazo[1,2-a]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol;N-(2-hydroxyethyl)-3-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]benzamide?
The IUPAC name of (5-bromoimidazo[1,2-a]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol;N-(2-hydroxyethyl)-3-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]benzamide (CID 87302426) is (5-bromoimidazo[1,2-a]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol;N-(2-hydroxyethyl)-3-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]benzamide.
What is the SMILES notation for (5-bromoimidazo[1,2-a]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol;N-(2-hydroxyethyl)-3-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]benzamide?
The canonical SMILES for (5-bromoimidazo[1,2-a]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol;N-(2-hydroxyethyl)-3-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]benzamide is O=C(NCCO)c1cccc(-c2cccc3nc(C(O)c4cccc(C(F)(F)F)c4)cn23)c1.OC(c1cccc(C(F)(F)F)c1)c1cn2c(Br)cccc2n1.
What is the InChIKey of (5-bromoimidazo[1,2-a]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol;N-(2-hydroxyethyl)-3-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]benzamide?
The InChIKey is GBESZNKCRJAGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O3.C15H10BrF3N2O/c25-24(26,27)18-7-2-5-16(13-18)22(32)19-14-30-20(8-3-9-21(30)29-19)15-4-1-6-17(12-15)23(33)28-10-11-31;16-12-5-2-6-13-20-11(8-21(12)13)14(22)9-3-1-4-10(7-9)15(17,18)19/h1-9,12-14,22,31-32H,10-11H2,(H,28,33);1-8,14,22H.
What are the key properties of (5-bromoimidazo[1,2-a]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol;N-(2-hydroxyethyl)-3-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]benzamide?
(5-bromoimidazo[1,2-a]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol;N-(2-hydroxyethyl)-3-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]benzamide has a molecular weight of 826.59 g/mol, XLogP of 8.02, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromoimidazo[1,2-a]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol;N-(2-hydroxyethyl)-3-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]benzamide is sourced from PubChem (CID 87302426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).