N-[(3-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide

C16H16FN3O2 — CID 91919702

IUPACN-[(3-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCN1C(=O)c2cccn2CC1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C16H16FN3O2/c1-19-14(10-20-7-3-6-13(20)16(19)22)15(21)18-9-11-4-2-5-12(17)8-11/h2-8,14H,9-10H2,1H3,(H,18,21)
InChIKeyZGYVESLWKPBEAZ-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.40
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide

N-[(3-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 91919702) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID91919702
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC NameN-[(3-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCN1C(=O)c2cccn2CC1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C16H16FN3O2/c1-19-14(10-20-7-3-6-13(20)16(19)22)15(21)18-9-11-4-2-5-12(17)8-11/h2-8,14H,9-10H2,1H3,(H,18,21)
InChIKeyZGYVESLWKPBEAZ-UHFFFAOYSA-N
XLogP1.40
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide (CID 91919702) is N-[(3-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide is CN1C(=O)c2cccn2CC1C(=O)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is ZGYVESLWKPBEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-19-14(10-20-7-3-6-13(20)16(19)22)15(21)18-9-11-4-2-5-12(17)8-11/h2-8,14H,9-10H2,1H3,(H,18,21).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
N-[(3-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 301.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 91919702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).