1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-naphthalen-1-yloxybutan-1-one

C22H24N2O2 — CID 55718460

IUPAC1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-naphthalen-1-yloxybutan-1-one
SMILESCC1c2cccn2CCN1C(=O)CCCOc1cccc2ccccc12
InChIInChI=1S/C22H24N2O2/c1-17-20-10-5-13-23(20)14-15-24(17)22(25)12-6-16-26-21-11-4-8-18-7-2-3-9-19(18)21/h2-5,7-11,13,17H,6,12,14-16H2,1H3
InChIKeyVAPZCIDGPZCDAF-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.40
Rot. Bonds5

About 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-naphthalen-1-yloxybutan-1-one

1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-naphthalen-1-yloxybutan-1-one (PubChem CID 55718460) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-naphthalen-1-yloxybutan-1-one.

Molecular Properties

Compound Name1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-naphthalen-1-yloxybutan-1-one
PubChem CID55718460
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-naphthalen-1-yloxybutan-1-one
SMILESCC1c2cccn2CCN1C(=O)CCCOc1cccc2ccccc12
InChIInChI=1S/C22H24N2O2/c1-17-20-10-5-13-23(20)14-15-24(17)22(25)12-6-16-26-21-11-4-8-18-7-2-3-9-19(18)21/h2-5,7-11,13,17H,6,12,14-16H2,1H3
InChIKeyVAPZCIDGPZCDAF-UHFFFAOYSA-N
XLogP4.40
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 47165656
1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-thiophen-2-ylpropan-1-one
CID 42890649
(1S)-N-(2-ethoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92711939
1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 95284565
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-naphthalen-1-yloxybutan-1-one;hydrochloride
CID 119648193
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 110647019
4-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 25070122
1-[3-(aminomethyl)pyrrolidin-1-yl]-4-naphthalen-1-yloxybutan-1-one;hydrochloride
CID 119487122
(1-methoxyisoquinolin-3-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 95151150
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-4-naphthalen-1-yloxybutan-1-one;hydrochloride
CID 120659566
1-(3-aminopiperidin-1-yl)-4-naphthalen-1-yloxybutan-1-one;hydrochloride
CID 119381622
N,N-dimethyl-4-naphthalen-1-yloxybutanamide
CID 60769263

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-naphthalen-1-yloxybutan-1-one?
The IUPAC name of 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-naphthalen-1-yloxybutan-1-one (CID 55718460) is 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-naphthalen-1-yloxybutan-1-one.
What is the SMILES notation for 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-naphthalen-1-yloxybutan-1-one?
The canonical SMILES for 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-naphthalen-1-yloxybutan-1-one is CC1c2cccn2CCN1C(=O)CCCOc1cccc2ccccc12.
What is the InChIKey of 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-naphthalen-1-yloxybutan-1-one?
The InChIKey is VAPZCIDGPZCDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-17-20-10-5-13-23(20)14-15-24(17)22(25)12-6-16-26-21-11-4-8-18-7-2-3-9-19(18)21/h2-5,7-11,13,17H,6,12,14-16H2,1H3.
What are the key properties of 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-naphthalen-1-yloxybutan-1-one?
1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-naphthalen-1-yloxybutan-1-one has a molecular weight of 348.45 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-naphthalen-1-yloxybutan-1-one is sourced from PubChem (CID 55718460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).