[3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol

C25H18F3N5O — CID 58824484

IUPAC[3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
SMILESOCc1ccn2c(-c3ccnc(NCc4cc(F)ccc4F)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C25H18F3N5O/c26-18-3-1-16(2-4-18)23-24(33-10-8-15(14-34)11-22(33)32-23)21-7-9-29-25(31-21)30-13-17-12-19(27)5-6-20(17)28/h1-12,34H,13-14H2,(H,29,30,31)
InChIKeyOXWZZENHFUYINP-UHFFFAOYSA-N
MW461.45 g/mol
LogP4.98
Rot. Bonds6

About [3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol

[3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 58824484) has the molecular formula C25H18F3N5O and a molecular weight of 461.45 g/mol. Its IUPAC name is [3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID58824484
Molecular FormulaC25H18F3N5O
Molecular Weight461.45 g/mol
Exact Mass461.15
IUPAC Name[3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
SMILESOCc1ccn2c(-c3ccnc(NCc4cc(F)ccc4F)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C25H18F3N5O/c26-18-3-1-16(2-4-18)23-24(33-10-8-15(14-34)11-22(33)32-23)21-7-9-29-25(31-21)30-13-17-12-19(27)5-6-20(17)28/h1-12,34H,13-14H2,(H,29,30,31)
InChIKeyOXWZZENHFUYINP-UHFFFAOYSA-N
XLogP4.98
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.45
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)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-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol (CID 58824484) is [3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol is OCc1ccn2c(-c3ccnc(NCc4cc(F)ccc4F)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of [3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is OXWZZENHFUYINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O/c26-18-3-1-16(2-4-18)23-24(33-10-8-15(14-34)11-22(33)32-23)21-7-9-29-25(31-21)30-13-17-12-19(27)5-6-20(17)28/h1-12,34H,13-14H2,(H,29,30,31).
What are the key properties of [3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
[3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 461.45 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[(2,5-difluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58824484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).