1-ethyl-N-[(4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C18H22FN3O — CID 22510864

IUPAC1-ethyl-N-[(4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCC1c2ccc(C)n2CCN1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H22FN3O/c1-3-16-17-9-4-13(2)21(17)10-11-22(16)18(23)20-12-14-5-7-15(19)8-6-14/h4-9,16H,3,10-12H2,1-2H3,(H,20,23)
InChIKeyVOAUYTIMKWNYHD-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.61
Rot. Bonds3

About 1-ethyl-N-[(4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

1-ethyl-N-[(4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 22510864) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-ethyl-N-[(4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID22510864
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name1-ethyl-N-[(4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCC1c2ccc(C)n2CCN1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H22FN3O/c1-3-16-17-9-4-13(2)21(17)10-11-22(16)18(23)20-12-14-5-7-15(19)8-6-14/h4-9,16H,3,10-12H2,1-2H3,(H,20,23)
InChIKeyVOAUYTIMKWNYHD-UHFFFAOYSA-N
XLogP3.61
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-(3-chloro-4-fluorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92703589
N-[(4-fluorophenyl)methyl]-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
CID 56916075
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076857
1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425178
(1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone
CID 16672035
1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 60628219
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 50808693
2-ethyl-1-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83061006
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512
(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 91653832
ethyl 4-[4-[(4-fluorophenyl)methylcarbamoyl]piperazin-1-yl]piperidine-1-carboxylate
CID 113107632
N-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 38159048

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 1-ethyl-N-[(4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 22510864) is 1-ethyl-N-[(4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 1-ethyl-N-[(4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is CCC1c2ccc(C)n2CCN1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-ethyl-N-[(4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is VOAUYTIMKWNYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-3-16-17-9-4-13(2)21(17)10-11-22(16)18(23)20-12-14-5-7-15(19)8-6-14/h4-9,16H,3,10-12H2,1-2H3,(H,20,23).
What are the key properties of 1-ethyl-N-[(4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
1-ethyl-N-[(4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 22510864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).