1-[2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)pyrimidin-5-yl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea

C28H19F3N8O2 — CID 118596745

IUPAC1-[2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)pyrimidin-5-yl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cnc(Oc2ccc(-c3cnc4ccccn34)cc2)nc1)Nc1cc(C(F)(F)F)ccc1-n1cccn1
InChIInChI=1S/C28H19F3N8O2/c29-28(30,31)19-7-10-23(39-13-3-11-35-39)22(14-19)37-26(40)36-20-15-33-27(34-16-20)41-21-8-5-18(6-9-21)24-17-32-25-4-1-2-12-38(24)25/h1-17H,(H2,36,37,40)
InChIKeyLJDUOVKERPLAFH-UHFFFAOYSA-N
MW556.51 g/mol
LogP6.43
Rot. Bonds6

About 1-[2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)pyrimidin-5-yl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea

1-[2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)pyrimidin-5-yl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea (PubChem CID 118596745) has the molecular formula C28H19F3N8O2 and a molecular weight of 556.51 g/mol. Its IUPAC name is 1-[2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)pyrimidin-5-yl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)pyrimidin-5-yl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea
PubChem CID118596745
Molecular FormulaC28H19F3N8O2
Molecular Weight556.51 g/mol
Exact Mass556.16
IUPAC Name1-[2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)pyrimidin-5-yl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cnc(Oc2ccc(-c3cnc4ccccn34)cc2)nc1)Nc1cc(C(F)(F)F)ccc1-n1cccn1
InChIInChI=1S/C28H19F3N8O2/c29-28(30,31)19-7-10-23(39-13-3-11-35-39)22(14-19)37-26(40)36-20-15-33-27(34-16-20)41-21-8-5-18(6-9-21)24-17-32-25-4-1-2-12-38(24)25/h1-17H,(H2,36,37,40)
InChIKeyLJDUOVKERPLAFH-UHFFFAOYSA-N
XLogP6.43
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.51
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)pyrimidin-5-yl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea 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 1-[2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)pyrimidin-5-yl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)pyrimidin-5-yl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea (CID 118596745) is 1-[2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)pyrimidin-5-yl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)pyrimidin-5-yl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)pyrimidin-5-yl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea is O=C(Nc1cnc(Oc2ccc(-c3cnc4ccccn34)cc2)nc1)Nc1cc(C(F)(F)F)ccc1-n1cccn1.
What is the InChIKey of 1-[2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)pyrimidin-5-yl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea?
The InChIKey is LJDUOVKERPLAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F3N8O2/c29-28(30,31)19-7-10-23(39-13-3-11-35-39)22(14-19)37-26(40)36-20-15-33-27(34-16-20)41-21-8-5-18(6-9-21)24-17-32-25-4-1-2-12-38(24)25/h1-17H,(H2,36,37,40).
What are the key properties of 1-[2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)pyrimidin-5-yl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea?
1-[2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)pyrimidin-5-yl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea has a molecular weight of 556.51 g/mol, XLogP of 6.43, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)pyrimidin-5-yl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 118596745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).