7-[[3,5-difluoro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine

C24H13F6N5O2 — CID 122196214

IUPAC7-[[3,5-difluoro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
SMILESFc1ccc(Oc2c(F)cc(COc3ccn4c(-c5cncnc5)cnc4n3)cc2F)cc1C(F)(F)F
InChIInChI=1S/C24H13F6N5O2/c25-17-2-1-15(7-16(17)24(28,29)30)37-22-18(26)5-13(6-19(22)27)11-36-21-3-4-35-20(10-33-23(35)34-21)14-8-31-12-32-9-14/h1-10,12H,11H2
InChIKeyPQBICOMBQYWZRR-UHFFFAOYSA-N
MW517.39 g/mol
LogP5.99
Rot. Bonds6

About 7-[[3,5-difluoro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine

7-[[3,5-difluoro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine (PubChem CID 122196214) has the molecular formula C24H13F6N5O2 and a molecular weight of 517.39 g/mol. Its IUPAC name is 7-[[3,5-difluoro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-[[3,5-difluoro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
PubChem CID122196214
Molecular FormulaC24H13F6N5O2
Molecular Weight517.39 g/mol
Exact Mass517.10
IUPAC Name7-[[3,5-difluoro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
SMILESFc1ccc(Oc2c(F)cc(COc3ccn4c(-c5cncnc5)cnc4n3)cc2F)cc1C(F)(F)F
InChIInChI=1S/C24H13F6N5O2/c25-17-2-1-15(7-16(17)24(28,29)30)37-22-18(26)5-13(6-19(22)27)11-36-21-3-4-35-20(10-33-23(35)34-21)14-8-31-12-32-9-14/h1-10,12H,11H2
InChIKeyPQBICOMBQYWZRR-UHFFFAOYSA-N
XLogP5.99
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.39
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[3,5-difluoro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine?
The IUPAC name of 7-[[3,5-difluoro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine (CID 122196214) is 7-[[3,5-difluoro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-[[3,5-difluoro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-[[3,5-difluoro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine is Fc1ccc(Oc2c(F)cc(COc3ccn4c(-c5cncnc5)cnc4n3)cc2F)cc1C(F)(F)F.
What is the InChIKey of 7-[[3,5-difluoro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine?
The InChIKey is PQBICOMBQYWZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13F6N5O2/c25-17-2-1-15(7-16(17)24(28,29)30)37-22-18(26)5-13(6-19(22)27)11-36-21-3-4-35-20(10-33-23(35)34-21)14-8-31-12-32-9-14/h1-10,12H,11H2.
What are the key properties of 7-[[3,5-difluoro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine?
7-[[3,5-difluoro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine has a molecular weight of 517.39 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3,5-difluoro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122196214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).