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

C24H14F5N5O2 — CID 122196217

IUPAC7-[[3,5-difluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
SMILESFc1cc(COc2ccn3c(-c4cncnc4)cnc3n2)cc(F)c1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H14F5N5O2/c25-18-7-14(8-19(26)22(18)36-17-3-1-16(2-4-17)24(27,28)29)12-35-21-5-6-34-20(11-32-23(34)33-21)15-9-30-13-31-10-15/h1-11,13H,12H2
InChIKeyIYXDFDQMQMAWHE-UHFFFAOYSA-N
MW499.40 g/mol
LogP5.85
Rot. Bonds6

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

7-[[3,5-difluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine (PubChem CID 122196217) has the molecular formula C24H14F5N5O2 and a molecular weight of 499.40 g/mol. Its IUPAC name is 7-[[3,5-difluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-[[3,5-difluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
PubChem CID122196217
Molecular FormulaC24H14F5N5O2
Molecular Weight499.40 g/mol
Exact Mass499.11
IUPAC Name7-[[3,5-difluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
SMILESFc1cc(COc2ccn3c(-c4cncnc4)cnc3n2)cc(F)c1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H14F5N5O2/c25-18-7-14(8-19(26)22(18)36-17-3-1-16(2-4-17)24(27,28)29)12-35-21-5-6-34-20(11-32-23(34)33-21)15-9-30-13-31-10-15/h1-11,13H,12H2
InChIKeyIYXDFDQMQMAWHE-UHFFFAOYSA-N
XLogP5.85
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.40
LogP ≤ 55.85
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-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine?
The IUPAC name of 7-[[3,5-difluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine (CID 122196217) is 7-[[3,5-difluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-[[3,5-difluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-[[3,5-difluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine is Fc1cc(COc2ccn3c(-c4cncnc4)cnc3n2)cc(F)c1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 7-[[3,5-difluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine?
The InChIKey is IYXDFDQMQMAWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F5N5O2/c25-18-7-14(8-19(26)22(18)36-17-3-1-16(2-4-17)24(27,28)29)12-35-21-5-6-34-20(11-32-23(34)33-21)15-9-30-13-31-10-15/h1-11,13H,12H2.
What are the key properties of 7-[[3,5-difluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine?
7-[[3,5-difluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine has a molecular weight of 499.40 g/mol, XLogP of 5.85, 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-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122196217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).