N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-cyanobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2,3,4-trifluorobenzenesulfonamide

C68H56Cl2F9N19O6S3 — CID 158994567

About N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-cyanobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2,3,4-trifluorobenzenesulfonamide

N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-cyanobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2,3,4-trifluorobenzenesulfonamide (PubChem CID 158994567) has the molecular formula C68H56Cl2F9N19O6S3 and a molecular weight of 1573.41 g/mol. Its IUPAC name is N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-cyanobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2,3,4-trifluorobenzenesulfonamide.

Molecular Properties

• Compound Name: N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-cyanobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2,3,4-trifluorobenzenesulfonamide
• PubChem CID: 158994567
• Molecular Formula: C68H56Cl2F9N19O6S3
• Molecular Weight: 1573.41 g/mol
• Exact Mass: 1571.31
• IUPAC Name: N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-cyanobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2,3,4-trifluorobenzenesulfonamide
• SMILES: N#Cc1ccc(S(=O)(=O)Nc2ccc(-c3nn(C4CCCC4)c4ncnc(N)c34)cc2F)c(Cl)c1.Nc1ncnc2c1c(-c1ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)c(F)c1)nn2C1CCCC1.Nc1ncnc2c1c(-c1ccc(NS(=O)(=O)c3ccc(F)c(F)c3F)c(F)c1)nn2C1CCCC1
• InChI: InChI=1S/C23H19ClF4N6O2S.C23H19ClFN7O2S.C22H18F4N6O2S/c24-15-7-6-13(23(26,27)28)10-18(15)37(35,36)33-17-8-5-12(9-16(17)25)20-19-21(29)30-11-31-22(19)34(32-20)14-3-1-2-4-14;24-16-9-13(11-26)5-8-19(16)35(33,34)31-18-7-6-14(10-17(18)25)21-20-22(27)28-12-29-23(20)32(30-21)15-3-1-2-4-15;23-13-6-8-16(19(26)18(13)25)35(33,34)31-15-7-5-11(9-14(15)24)20-17-21(27)28-10-29-22(17)32(30-20)12-3-1-2-4-12/h5-11,14,33H,1-4H2,(H2,29,30,31);5-10,12,15,31H,1-4H2,(H2,27,28,29);5-10,12,31H,1-4H2,(H2,27,28,29)
• InChIKey: JQOQAMUCHQSAPT-UHFFFAOYSA-N
• XLogP: 15.01
• TPSA: 371.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1573.41
LogP ≤ 5	15.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-cyanobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2,3,4-trifluorobenzenesulfonamide?

The IUPAC name of N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-cyanobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2,3,4-trifluorobenzenesulfonamide (CID 158994567) is N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-cyanobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2,3,4-trifluorobenzenesulfonamide.

What is the SMILES notation for N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-cyanobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2,3,4-trifluorobenzenesulfonamide?

The canonical SMILES for N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-cyanobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2,3,4-trifluorobenzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccc(-c3nn(C4CCCC4)c4ncnc(N)c34)cc2F)c(Cl)c1.Nc1ncnc2c1c(-c1ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)c(F)c1)nn2C1CCCC1.Nc1ncnc2c1c(-c1ccc(NS(=O)(=O)c3ccc(F)c(F)c3F)c(F)c1)nn2C1CCCC1.

What is the InChIKey of N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-cyanobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2,3,4-trifluorobenzenesulfonamide?

The InChIKey is JQOQAMUCHQSAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF4N6O2S.C23H19ClFN7O2S.C22H18F4N6O2S/c24-15-7-6-13(23(26,27)28)10-18(15)37(35,36)33-17-8-5-12(9-16(17)25)20-19-21(29)30-11-31-22(19)34(32-20)14-3-1-2-4-14;24-16-9-13(11-26)5-8-19(16)35(33,34)31-18-7-6-14(10-17(18)25)21-20-22(27)28-12-29-23(20)32(30-21)15-3-1-2-4-15;23-13-6-8-16(19(26)18(13)25)35(33,34)31-15-7-5-11(9-14(15)24)20-17-21(27)28-10-29-22(17)32(30-20)12-3-1-2-4-12/h5-11,14,33H,1-4H2,(H2,29,30,31);5-10,12,15,31H,1-4H2,(H2,27,28,29);5-10,12,31H,1-4H2,(H2,27,28,29).

What are the key properties of N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-cyanobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2,3,4-trifluorobenzenesulfonamide?

N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-cyanobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2,3,4-trifluorobenzenesulfonamide has a molecular weight of 1573.41 g/mol, XLogP of 15.01, 15 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-cyanobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2,3,4-trifluorobenzenesulfonamide is sourced from PubChem (CID 158994567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).