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

C24H17ClF3N5O2 — CID 122196205

IUPAC7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine
SMILESCn1cc(-c2cnc3nc(OCc4ccc(Oc5ccc(Cl)c(C(F)(F)F)c5)cc4)ccn23)cn1
InChIInChI=1S/C24H17ClF3N5O2/c1-32-13-16(11-30-32)21-12-29-23-31-22(8-9-33(21)23)34-14-15-2-4-17(5-3-15)35-18-6-7-20(25)19(10-18)24(26,27)28/h2-13H,14H2,1H3
InChIKeyCQTPVIZYSCRUHD-UHFFFAOYSA-N
MW499.88 g/mol
LogP6.17
Rot. Bonds6

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

7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine (PubChem CID 122196205) has the molecular formula C24H17ClF3N5O2 and a molecular weight of 499.88 g/mol. Its IUPAC name is 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine
PubChem CID122196205
Molecular FormulaC24H17ClF3N5O2
Molecular Weight499.88 g/mol
Exact Mass499.10
IUPAC Name7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine
SMILESCn1cc(-c2cnc3nc(OCc4ccc(Oc5ccc(Cl)c(C(F)(F)F)c5)cc4)ccn23)cn1
InChIInChI=1S/C24H17ClF3N5O2/c1-32-13-16(11-30-32)21-12-29-23-31-22(8-9-33(21)23)34-14-15-2-4-17(5-3-15)35-18-6-7-20(25)19(10-18)24(26,27)28/h2-13H,14H2,1H3
InChIKeyCQTPVIZYSCRUHD-UHFFFAOYSA-N
XLogP6.17
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.88
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine (CID 122196205) is 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(1-methylpyrazol-4-yl)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)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine is Cn1cc(-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-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine?
The InChIKey is CQTPVIZYSCRUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N5O2/c1-32-13-16(11-30-32)21-12-29-23-31-22(8-9-33(21)23)34-14-15-2-4-17(5-3-15)35-18-6-7-20(25)19(10-18)24(26,27)28/h2-13H,14H2,1H3.
What are the key properties of 7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine?
7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine has a molecular weight of 499.88 g/mol, XLogP of 6.17, 6 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)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122196205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).