4-[3-(azetidin-3-yl)pyrazin-2-yl]-2-fluoro-N-methylbenzamide;4-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-2-fluoro-N-methylbenzamide;2,7-dichloroquinazoline;tris(2,2,2-trifluoroacetic acid)

C52H40Cl3F11N12O8 — CID 159150233

About 4-[3-(azetidin-3-yl)pyrazin-2-yl]-2-fluoro-N-methylbenzamide;4-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-2-fluoro-N-methylbenzamide;2,7-dichloroquinazoline;tris(2,2,2-trifluoroacetic acid)

4-[3-(azetidin-3-yl)pyrazin-2-yl]-2-fluoro-N-methylbenzamide;4-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-2-fluoro-N-methylbenzamide;2,7-dichloroquinazoline;tris(2,2,2-trifluoroacetic acid) (PubChem CID 159150233) has the molecular formula C52H40Cl3F11N12O8 and a molecular weight of 1276.30 g/mol. Its IUPAC name is 4-[3-(azetidin-3-yl)pyrazin-2-yl]-2-fluoro-N-methylbenzamide;4-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-2-fluoro-N-methylbenzamide;2,7-dichloroquinazoline;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 4-[3-(azetidin-3-yl)pyrazin-2-yl]-2-fluoro-N-methylbenzamide;4-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-2-fluoro-N-methylbenzamide;2,7-dichloroquinazoline;tris(2,2,2-trifluoroacetic acid)
• PubChem CID: 159150233
• Molecular Formula: C52H40Cl3F11N12O8
• Molecular Weight: 1276.30 g/mol
• Exact Mass: 1274.20
• IUPAC Name: 4-[3-(azetidin-3-yl)pyrazin-2-yl]-2-fluoro-N-methylbenzamide;4-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-2-fluoro-N-methylbenzamide;2,7-dichloroquinazoline;tris(2,2,2-trifluoroacetic acid)
• SMILES: CNC(=O)c1ccc(-c2nccnc2C2CN(c3ncc4ccc(Cl)cc4n3)C2)cc1F.CNC(=O)c1ccc(-c2nccnc2C2CNC2)cc1F.Clc1ccc2cnc(Cl)nc2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C23H18ClFN6O.C15H15FN4O.C8H4Cl2N2.3C2HF3O2/c1-26-22(32)17-5-3-13(8-18(17)25)20-21(28-7-6-27-20)15-11-31(12-15)23-29-10-14-2-4-16(24)9-19(14)30-23;1-17-15(21)11-3-2-9(6-12(11)16)13-14(10-7-18-8-10)20-5-4-19-13;9-6-2-1-5-4-11-8(10)12-7(5)3-6;3*3-2(4,5)1(6)7/h2-10,15H,11-12H2,1H3,(H,26,32);2-6,10,18H,7-8H2,1H3,(H,17,21);1-4H;3*(H,6,7)
• InChIKey: QCAIGYMVVUDNGQ-UHFFFAOYSA-N
• XLogP: 10.01
• TPSA: 288.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1276.30
LogP ≤ 5	10.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-[3-(azetidin-3-yl)pyrazin-2-yl]-2-fluoro-N-methylbenzamide;4-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-2-fluoro-N-methylbenzamide;2,7-dichloroquinazoline;tris(2,2,2-trifluoroacetic acid)?

The IUPAC name of 4-[3-(azetidin-3-yl)pyrazin-2-yl]-2-fluoro-N-methylbenzamide;4-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-2-fluoro-N-methylbenzamide;2,7-dichloroquinazoline;tris(2,2,2-trifluoroacetic acid) (CID 159150233) is 4-[3-(azetidin-3-yl)pyrazin-2-yl]-2-fluoro-N-methylbenzamide;4-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-2-fluoro-N-methylbenzamide;2,7-dichloroquinazoline;tris(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 4-[3-(azetidin-3-yl)pyrazin-2-yl]-2-fluoro-N-methylbenzamide;4-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-2-fluoro-N-methylbenzamide;2,7-dichloroquinazoline;tris(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 4-[3-(azetidin-3-yl)pyrazin-2-yl]-2-fluoro-N-methylbenzamide;4-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-2-fluoro-N-methylbenzamide;2,7-dichloroquinazoline;tris(2,2,2-trifluoroacetic acid) is CNC(=O)c1ccc(-c2nccnc2C2CN(c3ncc4ccc(Cl)cc4n3)C2)cc1F.CNC(=O)c1ccc(-c2nccnc2C2CNC2)cc1F.Clc1ccc2cnc(Cl)nc2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 4-[3-(azetidin-3-yl)pyrazin-2-yl]-2-fluoro-N-methylbenzamide;4-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-2-fluoro-N-methylbenzamide;2,7-dichloroquinazoline;tris(2,2,2-trifluoroacetic acid)?

The InChIKey is QCAIGYMVVUDNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN6O.C15H15FN4O.C8H4Cl2N2.3C2HF3O2/c1-26-22(32)17-5-3-13(8-18(17)25)20-21(28-7-6-27-20)15-11-31(12-15)23-29-10-14-2-4-16(24)9-19(14)30-23;1-17-15(21)11-3-2-9(6-12(11)16)13-14(10-7-18-8-10)20-5-4-19-13;9-6-2-1-5-4-11-8(10)12-7(5)3-6;3*3-2(4,5)1(6)7/h2-10,15H,11-12H2,1H3,(H,26,32);2-6,10,18H,7-8H2,1H3,(H,17,21);1-4H;3*(H,6,7).

What are the key properties of 4-[3-(azetidin-3-yl)pyrazin-2-yl]-2-fluoro-N-methylbenzamide;4-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-2-fluoro-N-methylbenzamide;2,7-dichloroquinazoline;tris(2,2,2-trifluoroacetic acid)?

4-[3-(azetidin-3-yl)pyrazin-2-yl]-2-fluoro-N-methylbenzamide;4-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-2-fluoro-N-methylbenzamide;2,7-dichloroquinazoline;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 1276.30 g/mol, XLogP of 10.01, 7 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(azetidin-3-yl)pyrazin-2-yl]-2-fluoro-N-methylbenzamide;4-[3-[1-(7-chloroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-2-fluoro-N-methylbenzamide;2,7-dichloroquinazoline;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 159150233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).