2-(2-imidazo[1,2-a]pyrazin-8-yloxyethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C21H15F3N6O3 — CID 58044650

IUPAC2-(2-imidazo[1,2-a]pyrazin-8-yloxyethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCOc2nccn3ccnc23)nc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12
InChIInChI=1S/C21H15F3N6O3/c22-21(23,24)33-16-4-1-14(2-5-16)15-3-6-17-27-30(20(31)29(17)13-15)11-12-32-19-18-25-7-9-28(18)10-8-26-19/h1-10,13H,11-12H2
InChIKeyQFDHIAJTTBECEF-UHFFFAOYSA-N
MW456.38 g/mol
LogP3.18
Rot. Bonds6

About 2-(2-imidazo[1,2-a]pyrazin-8-yloxyethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-(2-imidazo[1,2-a]pyrazin-8-yloxyethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 58044650) has the molecular formula C21H15F3N6O3 and a molecular weight of 456.38 g/mol. Its IUPAC name is 2-(2-imidazo[1,2-a]pyrazin-8-yloxyethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(2-imidazo[1,2-a]pyrazin-8-yloxyethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID58044650
Molecular FormulaC21H15F3N6O3
Molecular Weight456.38 g/mol
Exact Mass456.12
IUPAC Name2-(2-imidazo[1,2-a]pyrazin-8-yloxyethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCOc2nccn3ccnc23)nc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12
InChIInChI=1S/C21H15F3N6O3/c22-21(23,24)33-16-4-1-14(2-5-16)15-3-6-17-27-30(20(31)29(17)13-15)11-12-32-19-18-25-7-9-28(18)10-8-26-19/h1-10,13H,11-12H2
InChIKeyQFDHIAJTTBECEF-UHFFFAOYSA-N
XLogP3.18
TPSA87.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(2-imidazo[1,2-a]pyrazin-8-yloxyethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(2-imidazo[1,2-a]pyrazin-8-yloxyethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 58044650) is 2-(2-imidazo[1,2-a]pyrazin-8-yloxyethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(2-imidazo[1,2-a]pyrazin-8-yloxyethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(2-imidazo[1,2-a]pyrazin-8-yloxyethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CCOc2nccn3ccnc23)nc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12.
What is the InChIKey of 2-(2-imidazo[1,2-a]pyrazin-8-yloxyethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is QFDHIAJTTBECEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N6O3/c22-21(23,24)33-16-4-1-14(2-5-16)15-3-6-17-27-30(20(31)29(17)13-15)11-12-32-19-18-25-7-9-28(18)10-8-26-19/h1-10,13H,11-12H2.
What are the key properties of 2-(2-imidazo[1,2-a]pyrazin-8-yloxyethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(2-imidazo[1,2-a]pyrazin-8-yloxyethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 456.38 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazo[1,2-a]pyrazin-8-yloxyethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 58044650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).