5-(azetidin-3-ylamino)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid

C23H23F6N7O4 — CID 175765823

About 5-(azetidin-3-ylamino)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid

5-(azetidin-3-ylamino)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 175765823) has the molecular formula C23H23F6N7O4 and a molecular weight of 575.47 g/mol. Its IUPAC name is 5-(azetidin-3-ylamino)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 5-(azetidin-3-ylamino)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 175765823
• Molecular Formula: C23H23F6N7O4
• Molecular Weight: 575.47 g/mol
• Exact Mass: 575.17
• IUPAC Name: 5-(azetidin-3-ylamino)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnn2ccc(NC3CNC3)nc12.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H22F3N7O2.C2HF3O2/c22-21(23,24)16-9-14(30-5-7-33-8-6-30)1-2-17(16)28-20(32)15-12-26-31-4-3-18(29-19(15)31)27-13-10-25-11-13;3-2(4,5)1(6)7/h1-4,9,12-13,25H,5-8,10-11H2,(H,27,29)(H,28,32);(H,6,7)
• InChIKey: UAVPPIUTQLTPLI-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 133.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.47
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-ylamino)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 5-(azetidin-3-ylamino)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 175765823) is 5-(azetidin-3-ylamino)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 5-(azetidin-3-ylamino)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 5-(azetidin-3-ylamino)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid is O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnn2ccc(NC3CNC3)nc12.O=C(O)C(F)(F)F.

What is the InChIKey of 5-(azetidin-3-ylamino)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is UAVPPIUTQLTPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N7O2.C2HF3O2/c22-21(23,24)16-9-14(30-5-7-33-8-6-30)1-2-17(16)28-20(32)15-12-26-31-4-3-18(29-19(15)31)27-13-10-25-11-13;3-2(4,5)1(6)7/h1-4,9,12-13,25H,5-8,10-11H2,(H,27,29)(H,28,32);(H,6,7).

What are the key properties of 5-(azetidin-3-ylamino)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?

5-(azetidin-3-ylamino)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 575.47 g/mol, XLogP of 2.85, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(azetidin-3-ylamino)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175765823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).