2-[4-(2-aminoethyl)phenyl]-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;hydrochloride

C22H21ClF3N3O2 — CID 90374563

IUPAC2-[4-(2-aminoethyl)phenyl]-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;hydrochloride
SMILESCl.NCCc1ccc(N2CCn3cc(-c4cccc(OC(F)(F)F)c4)cc3C2=O)cc1
InChIInChI=1S/C22H20F3N3O2.ClH/c23-22(24,25)30-19-3-1-2-16(12-19)17-13-20-21(29)28(11-10-27(20)14-17)18-6-4-15(5-7-18)8-9-26;/h1-7,12-14H,8-11,26H2;1H
InChIKeyMVWIKJXEULFLFF-UHFFFAOYSA-N
MW451.88 g/mol
LogP4.64
Rot. Bonds5

About 2-[4-(2-aminoethyl)phenyl]-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;hydrochloride

2-[4-(2-aminoethyl)phenyl]-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;hydrochloride (PubChem CID 90374563) has the molecular formula C22H21ClF3N3O2 and a molecular weight of 451.88 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)phenyl]-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;hydrochloride.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)phenyl]-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;hydrochloride
PubChem CID90374563
Molecular FormulaC22H21ClF3N3O2
Molecular Weight451.88 g/mol
Exact Mass451.13
IUPAC Name2-[4-(2-aminoethyl)phenyl]-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;hydrochloride
SMILESCl.NCCc1ccc(N2CCn3cc(-c4cccc(OC(F)(F)F)c4)cc3C2=O)cc1
InChIInChI=1S/C22H20F3N3O2.ClH/c23-22(24,25)30-19-3-1-2-16(12-19)17-13-20-21(29)28(11-10-27(20)14-17)18-6-4-15(5-7-18)8-9-26;/h1-7,12-14H,8-11,26H2;1H
InChIKeyMVWIKJXEULFLFF-UHFFFAOYSA-N
XLogP4.64
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.88
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-aminoethyl)phenyl]-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-aminoethyl)-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;hydrochloride
CID 90373947
4-(2-aminoethyl)-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 71523179
[3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 171365458
1-[4-(2-aminoethyl)phenyl]-4-methylpiperazine-2,3-dione
CID 117370701
4-(2-chloroethyl)-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 89487154
[3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanamine
CID 156612410
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-[2-chloro-3-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine
CID 119009643
2-[2-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]ethanamine
CID 134622608
2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine
CID 164888223
1-[3-[3-(trifluoromethoxy)phenyl]phenyl]cyclopropan-1-amine;hydrochloride
CID 167713453
3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 19710959

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)phenyl]-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;hydrochloride?
The IUPAC name of 2-[4-(2-aminoethyl)phenyl]-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;hydrochloride (CID 90374563) is 2-[4-(2-aminoethyl)phenyl]-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;hydrochloride.
What is the SMILES notation for 2-[4-(2-aminoethyl)phenyl]-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;hydrochloride?
The canonical SMILES for 2-[4-(2-aminoethyl)phenyl]-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;hydrochloride is Cl.NCCc1ccc(N2CCn3cc(-c4cccc(OC(F)(F)F)c4)cc3C2=O)cc1.
What is the InChIKey of 2-[4-(2-aminoethyl)phenyl]-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;hydrochloride?
The InChIKey is MVWIKJXEULFLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2.ClH/c23-22(24,25)30-19-3-1-2-16(12-19)17-13-20-21(29)28(11-10-27(20)14-17)18-6-4-15(5-7-18)8-9-26;/h1-7,12-14H,8-11,26H2;1H.
What are the key properties of 2-[4-(2-aminoethyl)phenyl]-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;hydrochloride?
2-[4-(2-aminoethyl)phenyl]-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;hydrochloride has a molecular weight of 451.88 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)phenyl]-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;hydrochloride is sourced from PubChem (CID 90374563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).