7-[[3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one

C22H20F4N4O3 — CID 76853231

IUPAC7-[[3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one
SMILESCN1c2cc(OCc3ccc(Oc4cncc(C(F)(F)F)c4)c(F)c3)nc(=O)n2CC1(C)C
InChIInChI=1S/C22H20F4N4O3/c1-21(2)12-30-19(29(21)3)8-18(28-20(30)31)32-11-13-4-5-17(16(23)6-13)33-15-7-14(9-27-10-15)22(24,25)26/h4-10H,11-12H2,1-3H3
InChIKeyPPKNPJKYLRQSCE-UHFFFAOYSA-N
MW464.42 g/mol
LogP4.40
Rot. Bonds5

About 7-[[3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one

7-[[3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one (PubChem CID 76853231) has the molecular formula C22H20F4N4O3 and a molecular weight of 464.42 g/mol. Its IUPAC name is 7-[[3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one
PubChem CID76853231
Molecular FormulaC22H20F4N4O3
Molecular Weight464.42 g/mol
Exact Mass464.15
IUPAC Name7-[[3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one
SMILESCN1c2cc(OCc3ccc(Oc4cncc(C(F)(F)F)c4)c(F)c3)nc(=O)n2CC1(C)C
InChIInChI=1S/C22H20F4N4O3/c1-21(2)12-30-19(29(21)3)8-18(28-20(30)31)32-11-13-4-5-17(16(23)6-13)33-15-7-14(9-27-10-15)22(24,25)26/h4-10H,11-12H2,1-3H3
InChIKeyPPKNPJKYLRQSCE-UHFFFAOYSA-N
XLogP4.40
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.42
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[[3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one 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 7-[[3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 7-[[3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one (CID 76853231) is 7-[[3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 7-[[3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 7-[[3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one is CN1c2cc(OCc3ccc(Oc4cncc(C(F)(F)F)c4)c(F)c3)nc(=O)n2CC1(C)C.
What is the InChIKey of 7-[[3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is PPKNPJKYLRQSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N4O3/c1-21(2)12-30-19(29(21)3)8-18(28-20(30)31)32-11-13-4-5-17(16(23)6-13)33-15-7-14(9-27-10-15)22(24,25)26/h4-10H,11-12H2,1-3H3.
What are the key properties of 7-[[3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one?
7-[[3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 464.42 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 76853231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).