2-[(3,4-difluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide

C16H15F2N3O3 — CID 3011082

IUPAC2-[(3,4-difluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCNC(=O)c1cn2c(c1O)C(=O)N(Cc1ccc(F)c(F)c1)CC2
InChIInChI=1S/C16H15F2N3O3/c1-19-15(23)10-8-20-4-5-21(16(24)13(20)14(10)22)7-9-2-3-11(17)12(18)6-9/h2-3,6,8,22H,4-5,7H2,1H3,(H,19,23)
InChIKeyYMLZIQMBYBGKBT-UHFFFAOYSA-N
MW335.31 g/mol
LogP1.49
Rot. Bonds3

About 2-[(3,4-difluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide

2-[(3,4-difluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide (PubChem CID 3011082) has the molecular formula C16H15F2N3O3 and a molecular weight of 335.31 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
PubChem CID3011082
Molecular FormulaC16H15F2N3O3
Molecular Weight335.31 g/mol
Exact Mass335.11
IUPAC Name2-[(3,4-difluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCNC(=O)c1cn2c(c1O)C(=O)N(Cc1ccc(F)c(F)c1)CC2
InChIInChI=1S/C16H15F2N3O3/c1-19-15(23)10-8-20-4-5-21(16(24)13(20)14(10)22)7-9-2-3-11(17)12(18)6-9/h2-3,6,8,22H,4-5,7H2,1H3,(H,19,23)
InChIKeyYMLZIQMBYBGKBT-UHFFFAOYSA-N
XLogP1.49
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-4-methylphenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
CID 142901503
N-cyclopropyl-2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
CID 3011072
7-acetyl-2-benzyl-8-hydroxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;ethane
CID 90901471
2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;hydrochloride
CID 54705294
N-[1-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]ethyl]-N-methylacetamide
CID 54706839
2-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
CID 69171460
N-[1-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-7-yl]ethyl]-N-methylmethanesulfonamide
CID 54718510
2-(2-fluorobutyl)-9-hydroxy-1,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 155699933
2-[(Z)-but-2-enyl]-N-[(2,4-difluoro-3-methylphenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 155699806
9-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 134385066
9-hydroxy-1,8-dioxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 134385056
2-[[6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carbonyl]amino]ethyl N-methylcarbamate
CID 67516929

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide (CID 3011082) is 2-[(3,4-difluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide is CNC(=O)c1cn2c(c1O)C(=O)N(Cc1ccc(F)c(F)c1)CC2.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is YMLZIQMBYBGKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O3/c1-19-15(23)10-8-20-4-5-21(16(24)13(20)14(10)22)7-9-2-3-11(17)12(18)6-9/h2-3,6,8,22H,4-5,7H2,1H3,(H,19,23).
What are the key properties of 2-[(3,4-difluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide?
2-[(3,4-difluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 335.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 3011082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).