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

C27H24FN5O3 — CID 58824444

IUPAC[3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCOc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)c(OC)c1
InChIInChI=1S/C27H24FN5O3/c1-35-21-8-5-19(23(14-21)36-2)15-30-27-29-11-9-22(31-27)26-25(18-3-6-20(28)7-4-18)32-24-13-17(16-34)10-12-33(24)26/h3-14,34H,15-16H2,1-2H3,(H,29,30,31)
InChIKeyWPZWNQDBPNEXCK-UHFFFAOYSA-N
MW485.52 g/mol
LogP4.72
Rot. Bonds8

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

[3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 58824444) has the molecular formula C27H24FN5O3 and a molecular weight of 485.52 g/mol. Its IUPAC name is [3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID58824444
Molecular FormulaC27H24FN5O3
Molecular Weight485.52 g/mol
Exact Mass485.19
IUPAC Name[3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCOc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)c(OC)c1
InChIInChI=1S/C27H24FN5O3/c1-35-21-8-5-19(23(14-21)36-2)15-30-27-29-11-9-22(31-27)26-25(18-3-6-20(28)7-4-18)32-24-13-17(16-34)10-12-33(24)26/h3-14,34H,15-16H2,1-2H3,(H,29,30,31)
InChIKeyWPZWNQDBPNEXCK-UHFFFAOYSA-N
XLogP4.72
TPSA93.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [3-[2-[(2,4-dimethoxyphenyl)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-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol (CID 58824444) is [3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol is COc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)c(OC)c1.
What is the InChIKey of [3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is WPZWNQDBPNEXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O3/c1-35-21-8-5-19(23(14-21)36-2)15-30-27-29-11-9-22(31-27)26-25(18-3-6-20(28)7-4-18)32-24-13-17(16-34)10-12-33(24)26/h3-14,34H,15-16H2,1-2H3,(H,29,30,31).
What are the key properties of [3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol?
[3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 485.52 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58824444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).