2-N-tert-butyl-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

C19H23FN4O2 — CID 54761809

IUPAC2-N-tert-butyl-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESCC(C)(C)NC(=O)N1CCn2c(F)c(-c3ccccc3)c(C(N)=O)c2C1
InChIInChI=1S/C19H23FN4O2/c1-19(2,3)22-18(26)23-9-10-24-13(11-23)15(17(21)25)14(16(24)20)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H2,21,25)(H,22,26)
InChIKeyQGRVKAUCBQJBPA-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.72
Rot. Bonds2

About 2-N-tert-butyl-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

2-N-tert-butyl-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (PubChem CID 54761809) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-N-tert-butyl-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.

Molecular Properties

Compound Name2-N-tert-butyl-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
PubChem CID54761809
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name2-N-tert-butyl-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESCC(C)(C)NC(=O)N1CCn2c(F)c(-c3ccccc3)c(C(N)=O)c2C1
InChIInChI=1S/C19H23FN4O2/c1-19(2,3)22-18(26)23-9-10-24-13(11-23)15(17(21)25)14(16(24)20)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H2,21,25)(H,22,26)
InChIKeyQGRVKAUCBQJBPA-UHFFFAOYSA-N
XLogP2.72
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The IUPAC name of 2-N-tert-butyl-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (CID 54761809) is 2-N-tert-butyl-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.
What is the SMILES notation for 2-N-tert-butyl-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The canonical SMILES for 2-N-tert-butyl-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is CC(C)(C)NC(=O)N1CCn2c(F)c(-c3ccccc3)c(C(N)=O)c2C1.
What is the InChIKey of 2-N-tert-butyl-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The InChIKey is QGRVKAUCBQJBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-19(2,3)22-18(26)23-9-10-24-13(11-23)15(17(21)25)14(16(24)20)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H2,21,25)(H,22,26).
What are the key properties of 2-N-tert-butyl-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
2-N-tert-butyl-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-6-fluoro-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is sourced from PubChem (CID 54761809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).