6-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile

C18H18FN5 — CID 128849899

IUPAC6-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cncc(N2CCC(N3CCc4cc(F)ccc43)CC2)n1
InChIInChI=1S/C18H18FN5/c19-14-1-2-17-13(9-14)3-8-24(17)16-4-6-23(7-5-16)18-12-21-11-15(10-20)22-18/h1-2,9,11-12,16H,3-8H2
InChIKeyZAIKWBQOSPSQBW-UHFFFAOYSA-N
MW323.38 g/mol
LogP2.52
Rot. Bonds2

About 6-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile

6-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 128849899) has the molecular formula C18H18FN5 and a molecular weight of 323.38 g/mol. Its IUPAC name is 6-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID128849899
Molecular FormulaC18H18FN5
Molecular Weight323.38 g/mol
Exact Mass323.15
IUPAC Name6-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cncc(N2CCC(N3CCc4cc(F)ccc43)CC2)n1
InChIInChI=1S/C18H18FN5/c19-14-1-2-17-13(9-14)3-8-24(17)16-4-6-23(7-5-16)18-12-21-11-15(10-20)22-18/h1-2,9,11-12,16H,3-8H2
InChIKeyZAIKWBQOSPSQBW-UHFFFAOYSA-N
XLogP2.52
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 6-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile (CID 128849899) is 6-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 6-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 6-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile is N#Cc1cncc(N2CCC(N3CCc4cc(F)ccc43)CC2)n1.
What is the InChIKey of 6-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is ZAIKWBQOSPSQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5/c19-14-1-2-17-13(9-14)3-8-24(17)16-4-6-23(7-5-16)18-12-21-11-15(10-20)22-18/h1-2,9,11-12,16H,3-8H2.
What are the key properties of 6-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
6-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 323.38 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 128849899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).