2-methyl-2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]propanenitrile

C26H23N5 — CID 54675484

IUPAC2-methyl-2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]propanenitrile
SMILESCC(C)(C#N)c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C26H23N5/c1-26(2,17-27)21-10-7-19(8-11-21)24-25(29-14-13-28-24)20-15-31(16-20)23-12-9-18-5-3-4-6-22(18)30-23/h3-14,20H,15-16H2,1-2H3
InChIKeySDWMOLHSKWAFJI-UHFFFAOYSA-N
MW405.51 g/mol
LogP5.10
Rot. Bonds4

About 2-methyl-2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]propanenitrile

2-methyl-2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]propanenitrile (PubChem CID 54675484) has the molecular formula C26H23N5 and a molecular weight of 405.51 g/mol. Its IUPAC name is 2-methyl-2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]propanenitrile
PubChem CID54675484
Molecular FormulaC26H23N5
Molecular Weight405.51 g/mol
Exact Mass405.20
IUPAC Name2-methyl-2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]propanenitrile
SMILESCC(C)(C#N)c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C26H23N5/c1-26(2,17-27)21-10-7-19(8-11-21)24-25(29-14-13-28-24)20-15-31(16-20)23-12-9-18-5-3-4-6-22(18)30-23/h3-14,20H,15-16H2,1-2H3
InChIKeySDWMOLHSKWAFJI-UHFFFAOYSA-N
XLogP5.10
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.51
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline
CID 58546781
N,N-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline
CID 58546915
methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate
CID 58547607
N,N-dimethyl-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine
CID 58546783
2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58547501
[2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanamine
CID 150824984
4-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]sulfonylmorpholine
CID 58547400
2-[3-[3-(6-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline;2,2,2-trifluoroacetic acid
CID 67468043
2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide
CID 58547374
2-[3-[3-(3-azabicyclo[3.2.2]nonan-3-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58546852
2-[3-[3-(6,6-dimethyl-2,3-dihydropyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 54675452
2-fluoro-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline;2-[3-(3-piperidin-1-ylpyrazin-2-yl)azetidin-1-yl]quinoline
CID 157217416

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]propanenitrile (CID 54675484) is 2-methyl-2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]propanenitrile is CC(C)(C#N)c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1.
What is the InChIKey of 2-methyl-2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]propanenitrile?
The InChIKey is SDWMOLHSKWAFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5/c1-26(2,17-27)21-10-7-19(8-11-21)24-25(29-14-13-28-24)20-15-31(16-20)23-12-9-18-5-3-4-6-22(18)30-23/h3-14,20H,15-16H2,1-2H3.
What are the key properties of 2-methyl-2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]propanenitrile?
2-methyl-2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]propanenitrile has a molecular weight of 405.51 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]propanenitrile is sourced from PubChem (CID 54675484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).