bis(4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine);4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;N-[4-methyl-3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine

C76H83BCl4F6N22O8 — CID 157369806

About bis(4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine);4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;N-[4-methyl-3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine

bis(4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine);4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;N-[4-methyl-3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine (PubChem CID 157369806) has the molecular formula C76H83BCl4F6N22O8 and a molecular weight of 1699.26 g/mol. Its IUPAC name is bis(4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine);4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;N-[4-methyl-3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine.

Molecular Properties

• Compound Name: bis(4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine);4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;N-[4-methyl-3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine
• PubChem CID: 157369806
• Molecular Formula: C76H83BCl4F6N22O8
• Molecular Weight: 1699.26 g/mol
• Exact Mass: 1696.55
• IUPAC Name: bis(4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine);4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;N-[4-methyl-3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine
• SMILES: C1COCCN1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1nc(N2CCOCC2)c2cnn(C)c2n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Cn1ncc2c(Cl)nc(Cl)nc21.Cn1ncc2c(N3CCOCC3)nc(Cl)nc21.Cn1ncc2c(N3CCOCC3)nc(Cl)nc21
• InChI: InChI=1S/C25H23F3N6O2.C21H23BF3NO3.2C10H12ClN5O.C6H4Cl2N4.C4H9NO/c1-15-6-7-18(30-24(35)16-4-3-5-17(12-16)25(26,27)28)13-19(15)21-31-22-20(14-29-33(22)2)23(32-21)34-8-10-36-11-9-34;1-13-9-10-16(12-17(13)22-28-19(2,3)20(4,5)29-22)26-18(27)14-7-6-8-15(11-14)21(23,24)25;2*1-15-8-7(6-12-15)9(14-10(11)13-8)16-2-4-17-5-3-16;1-12-5-3(2-9-12)4(7)10-6(8)11-5;1-3-6-4-2-5-1/h3-7,12-14H,8-11H2,1-2H3,(H,30,35);6-12H,1-5H3,(H,26,27);2*6H,2-5H2,1H3;2H,1H3;5H,1-4H2
• InChIKey: BJPWFRSYBLLMOP-UHFFFAOYSA-N
• XLogP: 11.99
• TPSA: 309.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 9
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1699.26
LogP ≤ 5	11.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine);4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;N-[4-methyl-3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine?

The IUPAC name of bis(4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine);4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;N-[4-methyl-3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine (CID 157369806) is bis(4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine);4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;N-[4-methyl-3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine.

What is the SMILES notation for bis(4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine);4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;N-[4-methyl-3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine?

The canonical SMILES for bis(4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine);4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;N-[4-methyl-3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine is C1COCCN1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1nc(N2CCOCC2)c2cnn(C)c2n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Cn1ncc2c(Cl)nc(Cl)nc21.Cn1ncc2c(N3CCOCC3)nc(Cl)nc21.Cn1ncc2c(N3CCOCC3)nc(Cl)nc21.

What is the InChIKey of bis(4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine);4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;N-[4-methyl-3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine?

The InChIKey is BJPWFRSYBLLMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O2.C21H23BF3NO3.2C10H12ClN5O.C6H4Cl2N4.C4H9NO/c1-15-6-7-18(30-24(35)16-4-3-5-17(12-16)25(26,27)28)13-19(15)21-31-22-20(14-29-33(22)2)23(32-21)34-8-10-36-11-9-34;1-13-9-10-16(12-17(13)22-28-19(2,3)20(4,5)29-22)26-18(27)14-7-6-8-15(11-14)21(23,24)25;2*1-15-8-7(6-12-15)9(14-10(11)13-8)16-2-4-17-5-3-16;1-12-5-3(2-9-12)4(7)10-6(8)11-5;1-3-6-4-2-5-1/h3-7,12-14H,8-11H2,1-2H3,(H,30,35);6-12H,1-5H3,(H,26,27);2*6H,2-5H2,1H3;2H,1H3;5H,1-4H2.

What are the key properties of bis(4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine);4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;N-[4-methyl-3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine?

bis(4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine);4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;N-[4-methyl-3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine has a molecular weight of 1699.26 g/mol, XLogP of 11.99, 9 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine);4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;N-[4-methyl-3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine is sourced from PubChem (CID 157369806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).