7-(4-methylimidazol-1-yl)-2-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

C24H20F3N5O3S — CID 66551384

IUPAC7-(4-methylimidazol-1-yl)-2-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN(CCOc2ccccc2-c2csc(C(F)(F)F)n2)C3=O)cn1
InChIInChI=1S/C24H20F3N5O3S/c1-15-12-31(14-28-15)18-6-7-19-21(33)30(8-9-32(19)22(18)34)10-11-35-20-5-3-2-4-16(20)17-13-36-23(29-17)24(25,26)27/h2-7,12-14H,8-11H2,1H3
InChIKeyAHERSACVYXVWEK-UHFFFAOYSA-N
MW515.52 g/mol
LogP4.02
Rot. Bonds6

About 7-(4-methylimidazol-1-yl)-2-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

7-(4-methylimidazol-1-yl)-2-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 66551384) has the molecular formula C24H20F3N5O3S and a molecular weight of 515.52 g/mol. Its IUPAC name is 7-(4-methylimidazol-1-yl)-2-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name7-(4-methylimidazol-1-yl)-2-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID66551384
Molecular FormulaC24H20F3N5O3S
Molecular Weight515.52 g/mol
Exact Mass515.12
IUPAC Name7-(4-methylimidazol-1-yl)-2-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN(CCOc2ccccc2-c2csc(C(F)(F)F)n2)C3=O)cn1
InChIInChI=1S/C24H20F3N5O3S/c1-15-12-31(14-28-15)18-6-7-19-21(33)30(8-9-32(19)22(18)34)10-11-35-20-5-3-2-4-16(20)17-13-36-23(29-17)24(25,26)27/h2-7,12-14H,8-11H2,1H3
InChIKeyAHERSACVYXVWEK-UHFFFAOYSA-N
XLogP4.02
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.52
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-(4-methylimidazol-1-yl)-2-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylimidazol-1-yl)-2-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 7-(4-methylimidazol-1-yl)-2-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 66551384) is 7-(4-methylimidazol-1-yl)-2-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 7-(4-methylimidazol-1-yl)-2-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 7-(4-methylimidazol-1-yl)-2-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is Cc1cn(-c2ccc3n(c2=O)CCN(CCOc2ccccc2-c2csc(C(F)(F)F)n2)C3=O)cn1.
What is the InChIKey of 7-(4-methylimidazol-1-yl)-2-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is AHERSACVYXVWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3S/c1-15-12-31(14-28-15)18-6-7-19-21(33)30(8-9-32(19)22(18)34)10-11-35-20-5-3-2-4-16(20)17-13-36-23(29-17)24(25,26)27/h2-7,12-14H,8-11H2,1H3.
What are the key properties of 7-(4-methylimidazol-1-yl)-2-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
7-(4-methylimidazol-1-yl)-2-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 515.52 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylimidazol-1-yl)-2-[2-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 66551384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).