[3-[2-(3-ethoxypropylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol

C24H24F3N5O2 — CID 58824434

IUPAC[3-[2-(3-ethoxypropylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCCOCCCNc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3cc(CO)ccn23)n1
InChIInChI=1S/C24H24F3N5O2/c1-2-34-12-4-9-28-23-29-10-7-19(30-23)22-21(17-5-3-6-18(14-17)24(25,26)27)31-20-13-16(15-33)8-11-32(20)22/h3,5-8,10-11,13-14,33H,2,4,9,12,15H2,1H3,(H,28,29,30)
InChIKeyWGWDEQTVCMLKMP-UHFFFAOYSA-N
MW471.48 g/mol
LogP4.81
Rot. Bonds9

About [3-[2-(3-ethoxypropylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol

[3-[2-(3-ethoxypropylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 58824434) has the molecular formula C24H24F3N5O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is [3-[2-(3-ethoxypropylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-[2-(3-ethoxypropylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID58824434
Molecular FormulaC24H24F3N5O2
Molecular Weight471.48 g/mol
Exact Mass471.19
IUPAC Name[3-[2-(3-ethoxypropylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCCOCCCNc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3cc(CO)ccn23)n1
InChIInChI=1S/C24H24F3N5O2/c1-2-34-12-4-9-28-23-29-10-7-19(30-23)22-21(17-5-3-6-18(14-17)24(25,26)27)31-20-13-16(15-33)8-11-32(20)22/h3,5-8,10-11,13-14,33H,2,4,9,12,15H2,1H3,(H,28,29,30)
InChIKeyWGWDEQTVCMLKMP-UHFFFAOYSA-N
XLogP4.81
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [3-[2-(3-ethoxypropylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]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 [3-[2-(3-ethoxypropylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [3-[2-(3-ethoxypropylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 58824434) is [3-[2-(3-ethoxypropylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [3-[2-(3-ethoxypropylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [3-[2-(3-ethoxypropylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol is CCOCCCNc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3cc(CO)ccn23)n1.
What is the InChIKey of [3-[2-(3-ethoxypropylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is WGWDEQTVCMLKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O2/c1-2-34-12-4-9-28-23-29-10-7-19(30-23)22-21(17-5-3-6-18(14-17)24(25,26)27)31-20-13-16(15-33)8-11-32(20)22/h3,5-8,10-11,13-14,33H,2,4,9,12,15H2,1H3,(H,28,29,30).
What are the key properties of [3-[2-(3-ethoxypropylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol?
[3-[2-(3-ethoxypropylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 471.48 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(3-ethoxypropylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58824434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).