6-fluoro-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide

C20H14F4N4O2 — CID 134463396

IUPAC6-fluoro-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(F)n2c1C(=O)N(c1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C20H14F4N4O2/c21-16-10-15(18(29)26-13-2-1-7-25-11-13)17-19(30)27(8-9-28(16)17)14-5-3-12(4-6-14)20(22,23)24/h1-7,10-11H,8-9H2,(H,26,29)
InChIKeyCACIVMOPOXXHPA-UHFFFAOYSA-N
MW418.35 g/mol
LogP3.95
Rot. Bonds3

About 6-fluoro-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide

6-fluoro-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide (PubChem CID 134463396) has the molecular formula C20H14F4N4O2 and a molecular weight of 418.35 g/mol. Its IUPAC name is 6-fluoro-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide.

Molecular Properties

Compound Name6-fluoro-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
PubChem CID134463396
Molecular FormulaC20H14F4N4O2
Molecular Weight418.35 g/mol
Exact Mass418.11
IUPAC Name6-fluoro-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(F)n2c1C(=O)N(c1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C20H14F4N4O2/c21-16-10-15(18(29)26-13-2-1-7-25-11-13)17-19(30)27(8-9-28(16)17)14-5-3-12(4-6-14)20(22,23)24/h1-7,10-11H,8-9H2,(H,26,29)
InChIKeyCACIVMOPOXXHPA-UHFFFAOYSA-N
XLogP3.95
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide?
The IUPAC name of 6-fluoro-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide (CID 134463396) is 6-fluoro-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide.
What is the SMILES notation for 6-fluoro-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide?
The canonical SMILES for 6-fluoro-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide is O=C(Nc1cccnc1)c1cc(F)n2c1C(=O)N(c1ccc(C(F)(F)F)cc1)CC2.
What is the InChIKey of 6-fluoro-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide?
The InChIKey is CACIVMOPOXXHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N4O2/c21-16-10-15(18(29)26-13-2-1-7-25-11-13)17-19(30)27(8-9-28(16)17)14-5-3-12(4-6-14)20(22,23)24/h1-7,10-11H,8-9H2,(H,26,29).
What are the key properties of 6-fluoro-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide?
6-fluoro-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide has a molecular weight of 418.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide is sourced from PubChem (CID 134463396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).