[1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(trifluoromethyl)phenyl]methanone

C23H21F3N2O3 — CID 139392192

IUPAC[1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCOc1ccc(OCC2c3cccn3CCN2C(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H21F3N2O3/c1-30-18-7-9-19(10-8-18)31-15-21-20-6-3-11-27(20)12-13-28(21)22(29)16-4-2-5-17(14-16)23(24,25)26/h2-11,14,21H,12-13,15H2,1H3
InChIKeyGIZLYZGHJCGILX-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.79
Rot. Bonds5

About [1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(trifluoromethyl)phenyl]methanone

[1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 139392192) has the molecular formula C23H21F3N2O3 and a molecular weight of 430.43 g/mol. Its IUPAC name is [1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID139392192
Molecular FormulaC23H21F3N2O3
Molecular Weight430.43 g/mol
Exact Mass430.15
IUPAC Name[1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCOc1ccc(OCC2c3cccn3CCN2C(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H21F3N2O3/c1-30-18-7-9-19(10-8-18)31-15-21-20-6-3-11-27(20)12-13-28(21)22(29)16-4-2-5-17(14-16)23(24,25)26/h2-11,14,21H,12-13,15H2,1H3
InChIKeyGIZLYZGHJCGILX-UHFFFAOYSA-N
XLogP4.79
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 139392192) is [1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(trifluoromethyl)phenyl]methanone is COc1ccc(OCC2c3cccn3CCN2C(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of [1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is GIZLYZGHJCGILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3/c1-30-18-7-9-19(10-8-18)31-15-21-20-6-3-11-27(20)12-13-28(21)22(29)16-4-2-5-17(14-16)23(24,25)26/h2-11,14,21H,12-13,15H2,1H3.
What are the key properties of [1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(trifluoromethyl)phenyl]methanone?
[1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 430.43 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 139392192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).