7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyridin-4-ylimidazo[1,2-a]pyrimidine

C25H16ClF3N4O2 — CID 122196138

IUPAC7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyridin-4-ylimidazo[1,2-a]pyrimidine
SMILESFC(F)(F)c1cc(Oc2ccc(COc3ccn4c(-c5ccncc5)cnc4n3)cc2)ccc1Cl
InChIInChI=1S/C25H16ClF3N4O2/c26-21-6-5-19(13-20(21)25(27,28)29)35-18-3-1-16(2-4-18)15-34-23-9-12-33-22(14-31-24(33)32-23)17-7-10-30-11-8-17/h1-14H,15H2
InChIKeySHMGPQZISKZVLO-UHFFFAOYSA-N
MW496.88 g/mol
LogP6.83
Rot. Bonds6

About 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyridin-4-ylimidazo[1,2-a]pyrimidine

7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyridin-4-ylimidazo[1,2-a]pyrimidine (PubChem CID 122196138) has the molecular formula C25H16ClF3N4O2 and a molecular weight of 496.88 g/mol. Its IUPAC name is 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyridin-4-ylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyridin-4-ylimidazo[1,2-a]pyrimidine
PubChem CID122196138
Molecular FormulaC25H16ClF3N4O2
Molecular Weight496.88 g/mol
Exact Mass496.09
IUPAC Name7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyridin-4-ylimidazo[1,2-a]pyrimidine
SMILESFC(F)(F)c1cc(Oc2ccc(COc3ccn4c(-c5ccncc5)cnc4n3)cc2)ccc1Cl
InChIInChI=1S/C25H16ClF3N4O2/c26-21-6-5-19(13-20(21)25(27,28)29)35-18-3-1-16(2-4-18)15-34-23-9-12-33-22(14-31-24(33)32-23)17-7-10-30-11-8-17/h1-14H,15H2
InChIKeySHMGPQZISKZVLO-UHFFFAOYSA-N
XLogP6.83
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.88
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyridin-4-ylimidazo[1,2-a]pyrimidine?
The IUPAC name of 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyridin-4-ylimidazo[1,2-a]pyrimidine (CID 122196138) is 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyridin-4-ylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyridin-4-ylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyridin-4-ylimidazo[1,2-a]pyrimidine is FC(F)(F)c1cc(Oc2ccc(COc3ccn4c(-c5ccncc5)cnc4n3)cc2)ccc1Cl.
What is the InChIKey of 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyridin-4-ylimidazo[1,2-a]pyrimidine?
The InChIKey is SHMGPQZISKZVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClF3N4O2/c26-21-6-5-19(13-20(21)25(27,28)29)35-18-3-1-16(2-4-18)15-34-23-9-12-33-22(14-31-24(33)32-23)17-7-10-30-11-8-17/h1-14H,15H2.
What are the key properties of 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyridin-4-ylimidazo[1,2-a]pyrimidine?
7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyridin-4-ylimidazo[1,2-a]pyrimidine has a molecular weight of 496.88 g/mol, XLogP of 6.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyridin-4-ylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122196138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).