2-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide

C16H16FN3O3 — CID 69171460

IUPAC2-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESNC(=O)c1cn2c(c1CO)C(=O)N(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C16H16FN3O3/c17-11-3-1-10(2-4-11)7-20-6-5-19-8-12(15(18)22)13(9-21)14(19)16(20)23/h1-4,8,21H,5-7,9H2,(H2,18,22)
InChIKeyKKZCUZKTURQMAM-UHFFFAOYSA-N
MW317.32 g/mol
LogP0.87
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide

2-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide (PubChem CID 69171460) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
PubChem CID69171460
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name2-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESNC(=O)c1cn2c(c1CO)C(=O)N(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C16H16FN3O3/c17-11-3-1-10(2-4-11)7-20-6-5-19-8-12(15(18)22)13(9-21)14(19)16(20)23/h1-4,8,21H,5-7,9H2,(H2,18,22)
InChIKeyKKZCUZKTURQMAM-UHFFFAOYSA-N
XLogP0.87
TPSA88.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide (CID 69171460) is 2-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide is NC(=O)c1cn2c(c1CO)C(=O)N(Cc1ccc(F)cc1)CC2.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is KKZCUZKTURQMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c17-11-3-1-10(2-4-11)7-20-6-5-19-8-12(15(18)22)13(9-21)14(19)16(20)23/h1-4,8,21H,5-7,9H2,(H2,18,22).
What are the key properties of 2-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide?
2-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 317.32 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 69171460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).