2-[3-[3-(6-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline;2,2,2-trifluoroacetic acid

C24H20F3N5O3 — CID 67468043

IUPAC2-[3-[3-(6-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H19N5O.C2HF3O2/c1-28-20-9-7-16(12-25-20)21-22(24-11-10-23-21)17-13-27(14-17)19-8-6-15-4-2-3-5-18(15)26-19;3-2(4,5)1(6)7/h2-12,17H,13-14H2,1H3;(H,6,7)
InChIKeyZZCLFKMOJROBFV-UHFFFAOYSA-N
MW483.45 g/mol
LogP4.33
Rot. Bonds4

About 2-[3-[3-(6-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline;2,2,2-trifluoroacetic acid

2-[3-[3-(6-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline;2,2,2-trifluoroacetic acid (PubChem CID 67468043) has the molecular formula C24H20F3N5O3 and a molecular weight of 483.45 g/mol. Its IUPAC name is 2-[3-[3-(6-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[3-[3-(6-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline;2,2,2-trifluoroacetic acid
PubChem CID67468043
Molecular FormulaC24H20F3N5O3
Molecular Weight483.45 g/mol
Exact Mass483.15
IUPAC Name2-[3-[3-(6-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H19N5O.C2HF3O2/c1-28-20-9-7-16(12-25-20)21-22(24-11-10-23-21)17-13-27(14-17)19-8-6-15-4-2-3-5-18(15)26-19;3-2(4,5)1(6)7/h2-12,17H,13-14H2,1H3;(H,6,7)
InChIKeyZZCLFKMOJROBFV-UHFFFAOYSA-N
XLogP4.33
TPSA101.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-[3-(6-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate
CID 58547607
2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58547501
N,N-dimethyl-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine
CID 58546783
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
2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide
CID 58547374
2-methyl-2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]propanenitrile
CID 54675484
[2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanamine
CID 150824984
2-cyclopropyl-1-[3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]ethanone
CID 58547295
1-[5-(3-methoxyphenyl)-6-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]ethanone
CID 58547658
tert-butyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-1-carboxylate
CID 58547533
4-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]sulfonylmorpholine
CID 58547400

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(6-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[3-[3-(6-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline;2,2,2-trifluoroacetic acid (CID 67468043) is 2-[3-[3-(6-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[3-[3-(6-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[3-[3-(6-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline;2,2,2-trifluoroacetic acid is COc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[3-[3-(6-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline;2,2,2-trifluoroacetic acid?
The InChIKey is ZZCLFKMOJROBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O.C2HF3O2/c1-28-20-9-7-16(12-25-20)21-22(24-11-10-23-21)17-13-27(14-17)19-8-6-15-4-2-3-5-18(15)26-19;3-2(4,5)1(6)7/h2-12,17H,13-14H2,1H3;(H,6,7).
What are the key properties of 2-[3-[3-(6-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline;2,2,2-trifluoroacetic acid?
2-[3-[3-(6-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline;2,2,2-trifluoroacetic acid has a molecular weight of 483.45 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(6-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67468043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).