1-[3-[1-(6-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile

C22H21FN6 — CID 58547234

IUPAC1-[3-[1-(6-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile
SMILESN#CC1CCN(c2nccnc2C2CN(c3ccc4cc(F)ccc4n3)C2)CC1
InChIInChI=1S/C22H21FN6/c23-18-2-3-19-16(11-18)1-4-20(27-19)29-13-17(14-29)21-22(26-8-7-25-21)28-9-5-15(12-24)6-10-28/h1-4,7-8,11,15,17H,5-6,9-10,13-14H2
InChIKeyJUALGJUVEYSETK-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.51
Rot. Bonds3

About 1-[3-[1-(6-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile

1-[3-[1-(6-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile (PubChem CID 58547234) has the molecular formula C22H21FN6 and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-[3-[1-(6-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-[1-(6-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile
PubChem CID58547234
Molecular FormulaC22H21FN6
Molecular Weight388.45 g/mol
Exact Mass388.18
IUPAC Name1-[3-[1-(6-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile
SMILESN#CC1CCN(c2nccnc2C2CN(c3ccc4cc(F)ccc4n3)C2)CC1
InChIInChI=1S/C22H21FN6/c23-18-2-3-19-16(11-18)1-4-20(27-19)29-13-17(14-29)21-22(26-8-7-25-21)28-9-5-15(12-24)6-10-28/h1-4,7-8,11,15,17H,5-6,9-10,13-14H2
InChIKeyJUALGJUVEYSETK-UHFFFAOYSA-N
XLogP3.51
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(6-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
The IUPAC name of 1-[3-[1-(6-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile (CID 58547234) is 1-[3-[1-(6-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[3-[1-(6-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[3-[1-(6-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile is N#CC1CCN(c2nccnc2C2CN(c3ccc4cc(F)ccc4n3)C2)CC1.
What is the InChIKey of 1-[3-[1-(6-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
The InChIKey is JUALGJUVEYSETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6/c23-18-2-3-19-16(11-18)1-4-20(27-19)29-13-17(14-29)21-22(26-8-7-25-21)28-9-5-15(12-24)6-10-28/h1-4,7-8,11,15,17H,5-6,9-10,13-14H2.
What are the key properties of 1-[3-[1-(6-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
1-[3-[1-(6-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile has a molecular weight of 388.45 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(6-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile is sourced from PubChem (CID 58547234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).