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

C25H19ClF3N5O2 — CID 122695352

IUPAC7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidine
SMILESCn1cc(Cc2cnc3nc(OCc4ccc(Oc5ccc(Cl)c(C(F)(F)F)c5)cc4)ccn23)cn1
InChIInChI=1S/C25H19ClF3N5O2/c1-33-14-17(12-31-33)10-18-13-30-24-32-23(8-9-34(18)24)35-15-16-2-4-19(5-3-16)36-20-6-7-22(26)21(11-20)25(27,28)29/h2-9,11-14H,10,15H2,1H3
InChIKeyGIQWTOUDPPYETN-UHFFFAOYSA-N
MW513.91 g/mol
LogP6.10
Rot. Bonds7

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

7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidine (PubChem CID 122695352) has the molecular formula C25H19ClF3N5O2 and a molecular weight of 513.91 g/mol. Its IUPAC name is 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidine
PubChem CID122695352
Molecular FormulaC25H19ClF3N5O2
Molecular Weight513.91 g/mol
Exact Mass513.12
IUPAC Name7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidine
SMILESCn1cc(Cc2cnc3nc(OCc4ccc(Oc5ccc(Cl)c(C(F)(F)F)c5)cc4)ccn23)cn1
InChIInChI=1S/C25H19ClF3N5O2/c1-33-14-17(12-31-33)10-18-13-30-24-32-23(8-9-34(18)24)35-15-16-2-4-19(5-3-16)36-20-6-7-22(26)21(11-20)25(27,28)29/h2-9,11-14H,10,15H2,1H3
InChIKeyGIQWTOUDPPYETN-UHFFFAOYSA-N
XLogP6.10
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.91
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-5-methyl-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
CID 122695267
2-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethylsulfanyl]-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one
CID 67775917
2-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methylsulfanyl]-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one;2,2,2-trifluoroacetic acid
CID 118481042
4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-ethylpyridin-2-one
CID 67966666
4-[4-(bromomethyl)phenoxy]-1-chloro-2-(trifluoromethyl)benzene
CID 67775976
7-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]ethoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
CID 122695323
1-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine
CID 67776010
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine
CID 86666229
4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole
CID 82704701
3-[(4-methoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine
CID 11978219
2-[4-chloro-3-(trifluoromethyl)phenoxy]-5-[2-[[5-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]ethyl]benzonitrile
CID 67774980
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanol
CID 66825529

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidine (CID 122695352) is 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidine is Cn1cc(Cc2cnc3nc(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-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is GIQWTOUDPPYETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF3N5O2/c1-33-14-17(12-31-33)10-18-13-30-24-32-23(8-9-34(18)24)35-15-16-2-4-19(5-3-16)36-20-6-7-22(26)21(11-20)25(27,28)29/h2-9,11-14H,10,15H2,1H3.
What are the key properties of 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidine?
7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 513.91 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122695352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).