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

C21H20FN7 — CID 58547413

IUPAC1-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile
SMILESN#CC1CCN(c2nccnc2C2CN(c3ncc4cc(F)ccc4n3)C2)CC1
InChIInChI=1S/C21H20FN7/c22-17-1-2-18-15(9-17)11-26-21(27-18)29-12-16(13-29)19-20(25-6-5-24-19)28-7-3-14(10-23)4-8-28/h1-2,5-6,9,11,14,16H,3-4,7-8,12-13H2
InChIKeyYXRAAYMTNBLUGY-UHFFFAOYSA-N
MW389.44 g/mol
LogP2.90
Rot. Bonds3

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

1-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile (PubChem CID 58547413) has the molecular formula C21H20FN7 and a molecular weight of 389.44 g/mol. Its IUPAC name is 1-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile
PubChem CID58547413
Molecular FormulaC21H20FN7
Molecular Weight389.44 g/mol
Exact Mass389.18
IUPAC Name1-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile
SMILESN#CC1CCN(c2nccnc2C2CN(c3ncc4cc(F)ccc4n3)C2)CC1
InChIInChI=1S/C21H20FN7/c22-17-1-2-18-15(9-17)11-26-21(27-18)29-12-16(13-29)19-20(25-6-5-24-19)28-7-3-14(10-23)4-8-28/h1-2,5-6,9,11,14,16H,3-4,7-8,12-13H2
InChIKeyYXRAAYMTNBLUGY-UHFFFAOYSA-N
XLogP2.90
TPSA81.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
The IUPAC name of 1-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile (CID 58547413) is 1-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile is N#CC1CCN(c2nccnc2C2CN(c3ncc4cc(F)ccc4n3)C2)CC1.
What is the InChIKey of 1-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
The InChIKey is YXRAAYMTNBLUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7/c22-17-1-2-18-15(9-17)11-26-21(27-18)29-12-16(13-29)19-20(25-6-5-24-19)28-7-3-14(10-23)4-8-28/h1-2,5-6,9,11,14,16H,3-4,7-8,12-13H2.
What are the key properties of 1-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
1-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile has a molecular weight of 389.44 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile is sourced from PubChem (CID 58547413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).