6-cyano-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

C20H19F4N5O2 — CID 89486248

IUPAC6-cyano-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESCC(C)(NC(=O)N1CCn2c(C#N)c(-c3cccc(F)c3)c(C(N)=O)c2C1)C(F)(F)F
InChIInChI=1S/C20H19F4N5O2/c1-19(2,20(22,23)24)27-18(31)28-6-7-29-13(9-25)15(11-4-3-5-12(21)8-11)16(17(26)30)14(29)10-28/h3-5,8H,6-7,10H2,1-2H3,(H2,26,30)(H,27,31)
InChIKeyWLNPDGPYQIXCMJ-UHFFFAOYSA-N
MW437.40 g/mol
LogP3.13
Rot. Bonds3

About 6-cyano-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

6-cyano-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (PubChem CID 89486248) has the molecular formula C20H19F4N5O2 and a molecular weight of 437.40 g/mol. Its IUPAC name is 6-cyano-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.

Molecular Properties

Compound Name6-cyano-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
PubChem CID89486248
Molecular FormulaC20H19F4N5O2
Molecular Weight437.40 g/mol
Exact Mass437.15
IUPAC Name6-cyano-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESCC(C)(NC(=O)N1CCn2c(C#N)c(-c3cccc(F)c3)c(C(N)=O)c2C1)C(F)(F)F
InChIInChI=1S/C20H19F4N5O2/c1-19(2,20(22,23)24)27-18(31)28-6-7-29-13(9-25)15(11-4-3-5-12(21)8-11)16(17(26)30)14(29)10-28/h3-5,8H,6-7,10H2,1-2H3,(H2,26,30)(H,27,31)
InChIKeyWLNPDGPYQIXCMJ-UHFFFAOYSA-N
XLogP3.13
TPSA104.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The IUPAC name of 6-cyano-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (CID 89486248) is 6-cyano-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.
What is the SMILES notation for 6-cyano-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The canonical SMILES for 6-cyano-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is CC(C)(NC(=O)N1CCn2c(C#N)c(-c3cccc(F)c3)c(C(N)=O)c2C1)C(F)(F)F.
What is the InChIKey of 6-cyano-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The InChIKey is WLNPDGPYQIXCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N5O2/c1-19(2,20(22,23)24)27-18(31)28-6-7-29-13(9-25)15(11-4-3-5-12(21)8-11)16(17(26)30)14(29)10-28/h3-5,8H,6-7,10H2,1-2H3,(H2,26,30)(H,27,31).
What are the key properties of 6-cyano-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
6-cyano-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide has a molecular weight of 437.40 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is sourced from PubChem (CID 89486248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).