1-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylprop-2-en-1-one

C24H24N2O3 — CID 4283430

IUPAC1-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylprop-2-en-1-one
SMILESCOc1ccc(C2c3cccn3CCN2C(=O)C=Cc2ccccc2)cc1OC
InChIInChI=1S/C24H24N2O3/c1-28-21-12-11-19(17-22(21)29-2)24-20-9-6-14-25(20)15-16-26(24)23(27)13-10-18-7-4-3-5-8-18/h3-14,17,24H,15-16H2,1-2H3
InChIKeyONPWXJREYJEXHZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.15
Rot. Bonds5

About 1-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylprop-2-en-1-one

1-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylprop-2-en-1-one (PubChem CID 4283430) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylprop-2-en-1-one
PubChem CID4283430
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name1-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylprop-2-en-1-one
SMILESCOc1ccc(C2c3cccn3CCN2C(=O)C=Cc2ccccc2)cc1OC
InChIInChI=1S/C24H24N2O3/c1-28-21-12-11-19(17-22(21)29-2)24-20-9-6-14-25(20)15-16-26(24)23(27)13-10-18-7-4-3-5-8-18/h3-14,17,24H,15-16H2,1-2H3
InChIKeyONPWXJREYJEXHZ-UHFFFAOYSA-N
XLogP4.15
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 94045565
1-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-phenylmethoxyethanone
CID 3400445
(1S)-N-benzyl-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387592
N,1-bis(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 18580564
1-(3,4-dimethoxyphenyl)-N-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 4079038
(1R)-N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 42546563
(1R)-1-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 7136356
(E)-3-phenyl-1-[1-(4-phenylmethoxyphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]prop-2-en-1-one
CID 42742126
(1S)-2-(benzenesulfonyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42554003
4-[[1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]benzoic acid
CID 43994198
(1S)-N-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 42546920
(1S)-N-cyclohexyl-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 40614123

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylprop-2-en-1-one?
The IUPAC name of 1-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylprop-2-en-1-one (CID 4283430) is 1-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for 1-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylprop-2-en-1-one?
The canonical SMILES for 1-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylprop-2-en-1-one is COc1ccc(C2c3cccn3CCN2C(=O)C=Cc2ccccc2)cc1OC.
What is the InChIKey of 1-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylprop-2-en-1-one?
The InChIKey is ONPWXJREYJEXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-28-21-12-11-19(17-22(21)29-2)24-20-9-6-14-25(20)15-16-26(24)23(27)13-10-18-7-4-3-5-8-18/h3-14,17,24H,15-16H2,1-2H3.
What are the key properties of 1-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylprop-2-en-1-one?
1-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylprop-2-en-1-one has a molecular weight of 388.47 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 4283430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).