[6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(2,2,2-trifluoroethylamino)methanol

C21H18F3N5O — CID 134546599

IUPAC[6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(2,2,2-trifluoroethylamino)methanol
SMILESCc1cccc(-c2ncccc2-c2ccc3ncc(C(O)NCC(F)(F)F)n3c2)n1
InChIInChI=1S/C21H18F3N5O/c1-13-4-2-6-16(28-13)19-15(5-3-9-25-19)14-7-8-18-26-10-17(29(18)11-14)20(30)27-12-21(22,23)24/h2-11,20,27,30H,12H2,1H3
InChIKeyZLXKMGAQLRHZDW-UHFFFAOYSA-N
MW413.40 g/mol
LogP3.91
Rot. Bonds5

About [6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(2,2,2-trifluoroethylamino)methanol

[6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(2,2,2-trifluoroethylamino)methanol (PubChem CID 134546599) has the molecular formula C21H18F3N5O and a molecular weight of 413.40 g/mol. Its IUPAC name is [6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(2,2,2-trifluoroethylamino)methanol.

Molecular Properties

Compound Name[6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(2,2,2-trifluoroethylamino)methanol
PubChem CID134546599
Molecular FormulaC21H18F3N5O
Molecular Weight413.40 g/mol
Exact Mass413.15
IUPAC Name[6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(2,2,2-trifluoroethylamino)methanol
SMILESCc1cccc(-c2ncccc2-c2ccc3ncc(C(O)NCC(F)(F)F)n3c2)n1
InChIInChI=1S/C21H18F3N5O/c1-13-4-2-6-16(28-13)19-15(5-3-9-25-19)14-7-8-18-26-10-17(29(18)11-14)20(30)27-12-21(22,23)24/h2-11,20,27,30H,12H2,1H3
InChIKeyZLXKMGAQLRHZDW-UHFFFAOYSA-N
XLogP3.91
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(2,2,2-trifluoroethylamino)methanol 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 [6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(2,2,2-trifluoroethylamino)methanol?
The IUPAC name of [6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(2,2,2-trifluoroethylamino)methanol (CID 134546599) is [6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(2,2,2-trifluoroethylamino)methanol.
What is the SMILES notation for [6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(2,2,2-trifluoroethylamino)methanol?
The canonical SMILES for [6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(2,2,2-trifluoroethylamino)methanol is Cc1cccc(-c2ncccc2-c2ccc3ncc(C(O)NCC(F)(F)F)n3c2)n1.
What is the InChIKey of [6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(2,2,2-trifluoroethylamino)methanol?
The InChIKey is ZLXKMGAQLRHZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O/c1-13-4-2-6-16(28-13)19-15(5-3-9-25-19)14-7-8-18-26-10-17(29(18)11-14)20(30)27-12-21(22,23)24/h2-11,20,27,30H,12H2,1H3.
What are the key properties of [6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(2,2,2-trifluoroethylamino)methanol?
[6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(2,2,2-trifluoroethylamino)methanol has a molecular weight of 413.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-(2,2,2-trifluoroethylamino)methanol is sourced from PubChem (CID 134546599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).