7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyrimidine

C25H17ClF3N5O3 — CID 122196204

IUPAC7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyrimidine
SMILESCOc1ncc(-c2cnc3nc(OCc4ccc(Oc5ccc(Cl)c(C(F)(F)F)c5)cc4)ccn23)cn1
InChIInChI=1S/C25H17ClF3N5O3/c1-35-24-31-11-16(12-32-24)21-13-30-23-33-22(8-9-34(21)23)36-14-15-2-4-17(5-3-15)37-18-6-7-20(26)19(10-18)25(27,28)29/h2-13H,14H2,1H3
InChIKeyWPDBBEPOSDFSPH-UHFFFAOYSA-N
MW527.89 g/mol
LogP6.24
Rot. Bonds7

About 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyrimidine

7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyrimidine (PubChem CID 122196204) has the molecular formula C25H17ClF3N5O3 and a molecular weight of 527.89 g/mol. Its IUPAC name is 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyrimidine
PubChem CID122196204
Molecular FormulaC25H17ClF3N5O3
Molecular Weight527.89 g/mol
Exact Mass527.10
IUPAC Name7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyrimidine
SMILESCOc1ncc(-c2cnc3nc(OCc4ccc(Oc5ccc(Cl)c(C(F)(F)F)c5)cc4)ccn23)cn1
InChIInChI=1S/C25H17ClF3N5O3/c1-35-24-31-11-16(12-32-24)21-13-30-23-33-22(8-9-34(21)23)36-14-15-2-4-17(5-3-15)37-18-6-7-20(26)19(10-18)25(27,28)29/h2-13H,14H2,1H3
InChIKeyWPDBBEPOSDFSPH-UHFFFAOYSA-N
XLogP6.24
TPSA83.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.89
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-[2-[4-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
CID 122196130
7-[[4-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
CID 122196132
7-[[4-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyridin-3-ylimidazo[1,2-a]pyrimidine
CID 122196137
7-[[4-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyridin-4-ylimidazo[1,2-a]pyrimidine
CID 122196138
7-[[4-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine
CID 122196205
3-(5-Pyrimidinyl)-7-[3-fluoro-4-[3-(trifluoromethyl)-4-chlorophenoxy]benzyloxy]imidazo[1,2-a]pyrimidine
CID 122196208
2-[4-Chloro-3-(trifluoromethyl)phenoxy]-5-[(3-pyrimidin-5-ylimidazo[1,2-a]pyrimidin-7-yl)oxymethyl]benzonitrile
CID 122196209
7-[[4-[4-Chloro-3-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
CID 122196212
7-[[3,5-Difluoro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
CID 122196214
7-[[3,5-Difluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
CID 122196215
7-[[4-(3,4-Dichlorophenoxy)-3,5-difluorophenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
CID 122196216
2-[(4-Chloro-3-methylphenoxy)methyl]imidazo[1,2-a]pyrimidine
CID 700189

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyrimidine (CID 122196204) is 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyrimidine is COc1ncc(-c2cnc3nc(OCc4ccc(Oc5ccc(Cl)c(C(F)(F)F)c5)cc4)ccn23)cn1.
What is the InChIKey of 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyrimidine?
The InChIKey is WPDBBEPOSDFSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClF3N5O3/c1-35-24-31-11-16(12-32-24)21-13-30-23-33-22(8-9-34(21)23)36-14-15-2-4-17(5-3-15)37-18-6-7-20(26)19(10-18)25(27,28)29/h2-13H,14H2,1H3.
What are the key properties of 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyrimidine?
7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyrimidine has a molecular weight of 527.89 g/mol, XLogP of 6.24, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122196204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).