[2-(4-fluorophenyl)-3-[2-(hexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

C24H26FN5O — CID 58824314

IUPAC[2-(4-fluorophenyl)-3-[2-(hexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCCCCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1
InChIInChI=1S/C24H26FN5O/c1-2-3-4-5-12-26-24-27-13-10-20(28-24)23-22(18-6-8-19(25)9-7-18)29-21-15-17(16-31)11-14-30(21)23/h6-11,13-15,31H,2-5,12,16H2,1H3,(H,26,27,28)
InChIKeyKGWCHOVFWLKKCY-UHFFFAOYSA-N
MW419.50 g/mol
LogP5.08
Rot. Bonds9

About [2-(4-fluorophenyl)-3-[2-(hexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

[2-(4-fluorophenyl)-3-[2-(hexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 58824314) has the molecular formula C24H26FN5O and a molecular weight of 419.50 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-[2-(hexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-[2-(hexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID58824314
Molecular FormulaC24H26FN5O
Molecular Weight419.50 g/mol
Exact Mass419.21
IUPAC Name[2-(4-fluorophenyl)-3-[2-(hexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCCCCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1
InChIInChI=1S/C24H26FN5O/c1-2-3-4-5-12-26-24-27-13-10-20(28-24)23-22(18-6-8-19(25)9-7-18)29-21-15-17(16-31)11-14-30(21)23/h6-11,13-15,31H,2-5,12,16H2,1H3,(H,26,27,28)
InChIKeyKGWCHOVFWLKKCY-UHFFFAOYSA-N
XLogP5.08
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-(4-fluorophenyl)-3-[2-(hexylamino)pyrimidin-4-yl]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 [2-(4-fluorophenyl)-3-[2-(hexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [2-(4-fluorophenyl)-3-[2-(hexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 58824314) is [2-(4-fluorophenyl)-3-[2-(hexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)-3-[2-(hexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [2-(4-fluorophenyl)-3-[2-(hexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is CCCCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.
What is the InChIKey of [2-(4-fluorophenyl)-3-[2-(hexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is KGWCHOVFWLKKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O/c1-2-3-4-5-12-26-24-27-13-10-20(28-24)23-22(18-6-8-19(25)9-7-18)29-21-15-17(16-31)11-14-30(21)23/h6-11,13-15,31H,2-5,12,16H2,1H3,(H,26,27,28).
What are the key properties of [2-(4-fluorophenyl)-3-[2-(hexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
[2-(4-fluorophenyl)-3-[2-(hexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 419.50 g/mol, XLogP of 5.08, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-3-[2-(hexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58824314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).