5-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)pyrazine-2-carbonitrile

C16H13FN4 — CID 167790696

IUPAC5-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CC3(CCC3)c3c(F)cccc32)cn1
InChIInChI=1S/C16H13FN4/c17-12-3-1-4-13-15(12)16(5-2-6-16)10-21(13)14-9-19-11(7-18)8-20-14/h1,3-4,8-9H,2,5-6,10H2
InChIKeyORWKTOYYLOCUIO-UHFFFAOYSA-N
MW280.31 g/mol
LogP3.06
Rot. Bonds1

About 5-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)pyrazine-2-carbonitrile

5-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)pyrazine-2-carbonitrile (PubChem CID 167790696) has the molecular formula C16H13FN4 and a molecular weight of 280.31 g/mol. Its IUPAC name is 5-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)pyrazine-2-carbonitrile
PubChem CID167790696
Molecular FormulaC16H13FN4
Molecular Weight280.31 g/mol
Exact Mass280.11
IUPAC Name5-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CC3(CCC3)c3c(F)cccc32)cn1
InChIInChI=1S/C16H13FN4/c17-12-3-1-4-13-15(12)16(5-2-6-16)10-21(13)14-9-19-11(7-18)8-20-14/h1,3-4,8-9H,2,5-6,10H2
InChIKeyORWKTOYYLOCUIO-UHFFFAOYSA-N
XLogP3.06
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)pyrazine-2-carbonitrile?
The IUPAC name of 5-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)pyrazine-2-carbonitrile (CID 167790696) is 5-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)pyrazine-2-carbonitrile is N#Cc1cnc(N2CC3(CCC3)c3c(F)cccc32)cn1.
What is the InChIKey of 5-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)pyrazine-2-carbonitrile?
The InChIKey is ORWKTOYYLOCUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4/c17-12-3-1-4-13-15(12)16(5-2-6-16)10-21(13)14-9-19-11(7-18)8-20-14/h1,3-4,8-9H,2,5-6,10H2.
What are the key properties of 5-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)pyrazine-2-carbonitrile?
5-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)pyrazine-2-carbonitrile has a molecular weight of 280.31 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 167790696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).