3-(4-fluoro-3-pyridazin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine

C17H9F4N5 — CID 10133066

IUPAC3-(4-fluoro-3-pyridazin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESFc1ccc(-c2cnc3nc(C(F)(F)F)ccn23)cc1-c1cccnn1
InChIInChI=1S/C17H9F4N5/c18-12-4-3-10(8-11(12)13-2-1-6-23-25-13)14-9-22-16-24-15(17(19,20)21)5-7-26(14)16/h1-9H
InChIKeyGXPAVMUVLDMPHC-UHFFFAOYSA-N
MW359.29 g/mol
LogP4.01
Rot. Bonds2

About 3-(4-fluoro-3-pyridazin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine

3-(4-fluoro-3-pyridazin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine (PubChem CID 10133066) has the molecular formula C17H9F4N5 and a molecular weight of 359.29 g/mol. Its IUPAC name is 3-(4-fluoro-3-pyridazin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-(4-fluoro-3-pyridazin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
PubChem CID10133066
Molecular FormulaC17H9F4N5
Molecular Weight359.29 g/mol
Exact Mass359.08
IUPAC Name3-(4-fluoro-3-pyridazin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESFc1ccc(-c2cnc3nc(C(F)(F)F)ccn23)cc1-c1cccnn1
InChIInChI=1S/C17H9F4N5/c18-12-4-3-10(8-11(12)13-2-1-6-23-25-13)14-9-22-16-24-15(17(19,20)21)5-7-26(14)16/h1-9H
InChIKeyGXPAVMUVLDMPHC-UHFFFAOYSA-N
XLogP4.01
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-pyridazin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-(4-fluoro-3-pyridazin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine (CID 10133066) is 3-(4-fluoro-3-pyridazin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-(4-fluoro-3-pyridazin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-(4-fluoro-3-pyridazin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine is Fc1ccc(-c2cnc3nc(C(F)(F)F)ccn23)cc1-c1cccnn1.
What is the InChIKey of 3-(4-fluoro-3-pyridazin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is GXPAVMUVLDMPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F4N5/c18-12-4-3-10(8-11(12)13-2-1-6-23-25-13)14-9-22-16-24-15(17(19,20)21)5-7-26(14)16/h1-9H.
What are the key properties of 3-(4-fluoro-3-pyridazin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
3-(4-fluoro-3-pyridazin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 359.29 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-pyridazin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 10133066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).