N-(2-hydroxyethyl)-3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine

C48H46F3N11O5 — CID 158782710

About N-(2-hydroxyethyl)-3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine

N-(2-hydroxyethyl)-3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 158782710) has the molecular formula C48H46F3N11O5 and a molecular weight of 913.96 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

• Compound Name: N-(2-hydroxyethyl)-3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
• PubChem CID: 158782710
• Molecular Formula: C48H46F3N11O5
• Molecular Weight: 913.96 g/mol
• Exact Mass: 913.36
• IUPAC Name: N-(2-hydroxyethyl)-3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
• SMILES: FC(F)(F)Oc1cccc(-c2cnn3ccc(Nc4ccc(N5CCOCC5)cc4)nc23)c1.O=C(NCCO)c1cccc(-c2cnn3ccc(Nc4ccc(N5CCOCC5)cc4)nc23)c1
• InChI: InChI=1S/C25H26N6O3.C23H20F3N5O2/c32-13-9-26-25(33)19-3-1-2-18(16-19)22-17-27-31-10-8-23(29-24(22)31)28-20-4-6-21(7-5-20)30-11-14-34-15-12-30;24-23(25,26)33-19-3-1-2-16(14-19)20-15-27-31-9-8-21(29-22(20)31)28-17-4-6-18(7-5-17)30-10-12-32-13-11-30/h1-8,10,16-17,32H,9,11-15H2,(H,26,33)(H,28,29);1-9,14-15H,10-13H2,(H,28,29)
• InChIKey: IRGZCYAJYQZPPJ-UHFFFAOYSA-N
• XLogP: 7.57
• TPSA: 167.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	913.96
LogP ≤ 5	7.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?

The IUPAC name of N-(2-hydroxyethyl)-3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 158782710) is N-(2-hydroxyethyl)-3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine.

What is the SMILES notation for N-(2-hydroxyethyl)-3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?

The canonical SMILES for N-(2-hydroxyethyl)-3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine is FC(F)(F)Oc1cccc(-c2cnn3ccc(Nc4ccc(N5CCOCC5)cc4)nc23)c1.O=C(NCCO)c1cccc(-c2cnn3ccc(Nc4ccc(N5CCOCC5)cc4)nc23)c1.

What is the InChIKey of N-(2-hydroxyethyl)-3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?

The InChIKey is IRGZCYAJYQZPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3.C23H20F3N5O2/c32-13-9-26-25(33)19-3-1-2-18(16-19)22-17-27-31-10-8-23(29-24(22)31)28-20-4-6-21(7-5-20)30-11-14-34-15-12-30;24-23(25,26)33-19-3-1-2-16(14-19)20-15-27-31-9-8-21(29-22(20)31)28-17-4-6-18(7-5-17)30-10-12-32-13-11-30/h1-8,10,16-17,32H,9,11-15H2,(H,26,33)(H,28,29);1-9,14-15H,10-13H2,(H,28,29).

What are the key properties of N-(2-hydroxyethyl)-3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?

N-(2-hydroxyethyl)-3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 913.96 g/mol, XLogP of 7.57, 12 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxyethyl)-3-[5-(4-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide;N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 158782710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).