4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide

C16H18F4N6O2 — CID 118008690

IUPAC4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide
SMILESCOC1=CN(c2cnc(C(F)(F)F)cn2)C=CN1CNC(=O)C1CC(F)CN1
InChIInChI=1S/C16H18F4N6O2/c1-28-14-8-25(13-7-22-12(6-23-13)16(18,19)20)2-3-26(14)9-24-15(27)11-4-10(17)5-21-11/h2-3,6-8,10-11,21H,4-5,9H2,1H3,(H,24,27)
InChIKeyRQISHXNOGKLUSE-UHFFFAOYSA-N
MW402.35 g/mol
LogP1.31
Rot. Bonds5

About 4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide

4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 118008690) has the molecular formula C16H18F4N6O2 and a molecular weight of 402.35 g/mol. Its IUPAC name is 4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID118008690
Molecular FormulaC16H18F4N6O2
Molecular Weight402.35 g/mol
Exact Mass402.14
IUPAC Name4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide
SMILESCOC1=CN(c2cnc(C(F)(F)F)cn2)C=CN1CNC(=O)C1CC(F)CN1
InChIInChI=1S/C16H18F4N6O2/c1-28-14-8-25(13-7-22-12(6-23-13)16(18,19)20)2-3-26(14)9-24-15(27)11-4-10(17)5-21-11/h2-3,6-8,10-11,21H,4-5,9H2,1H3,(H,24,27)
InChIKeyRQISHXNOGKLUSE-UHFFFAOYSA-N
XLogP1.31
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide (CID 118008690) is 4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide is COC1=CN(c2cnc(C(F)(F)F)cn2)C=CN1CNC(=O)C1CC(F)CN1.
What is the InChIKey of 4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is RQISHXNOGKLUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F4N6O2/c1-28-14-8-25(13-7-22-12(6-23-13)16(18,19)20)2-3-26(14)9-24-15(27)11-4-10(17)5-21-11/h2-3,6-8,10-11,21H,4-5,9H2,1H3,(H,24,27).
What are the key properties of 4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide?
4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 402.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 118008690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).