1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylmethoxyethanone

C22H22N2O2 — CID 134054456

IUPAC1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCn2cccc2C1c1ccccc1
InChIInChI=1S/C22H22N2O2/c25-21(17-26-16-18-8-3-1-4-9-18)24-15-14-23-13-7-12-20(23)22(24)19-10-5-2-6-11-19/h1-13,22H,14-17H2
InChIKeyMSAARKQHKJOIRA-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.64
Rot. Bonds5

About 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylmethoxyethanone

1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylmethoxyethanone (PubChem CID 134054456) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylmethoxyethanone
PubChem CID134054456
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCn2cccc2C1c1ccccc1
InChIInChI=1S/C22H22N2O2/c25-21(17-26-16-18-8-3-1-4-9-18)24-15-14-23-13-7-12-20(23)22(24)19-10-5-2-6-11-19/h1-13,22H,14-17H2
InChIKeyMSAARKQHKJOIRA-UHFFFAOYSA-N
XLogP3.64
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-phenylmethoxyethanone
CID 3400445
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CID 110647019
3-methyl-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 4136305
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CID 134054526
1-[1-(2-nitrophenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-phenylmethoxyethanone
CID 4694670
N-ethyl-2-methoxy-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]acetamide
CID 42813720
2-(ethylamino)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 42797975
1-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylpropan-1-one
CID 4104891
1-benzyl-3-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]pyrimidine-2,4-dione
CID 112816698
2-(2-methoxy-4-prop-2-enylphenoxy)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 55557465
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(5-phenylfuran-2-yl)propan-1-one
CID 42947726
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
CID 55558055

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylmethoxyethanone?
The IUPAC name of 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylmethoxyethanone (CID 134054456) is 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylmethoxyethanone.
What is the SMILES notation for 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylmethoxyethanone?
The canonical SMILES for 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylmethoxyethanone is O=C(COCc1ccccc1)N1CCn2cccc2C1c1ccccc1.
What is the InChIKey of 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylmethoxyethanone?
The InChIKey is MSAARKQHKJOIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-21(17-26-16-18-8-3-1-4-9-18)24-15-14-23-13-7-12-20(23)22(24)19-10-5-2-6-11-19/h1-13,22H,14-17H2.
What are the key properties of 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylmethoxyethanone?
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylmethoxyethanone has a molecular weight of 346.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylmethoxyethanone is sourced from PubChem (CID 134054456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).