N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-chloro-3-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-(trifluoromethoxy)benzenesulfonamide

C67H59ClF6N20O11S3 — CID 160632155

IUPACN-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-chloro-3-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESNc1ncnc2c1c(-c1ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c(F)c1)nn2C1CCCC1.Nc1ncnc2c1c(-c1ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(F)c1)nn2C1CCCC1.Nc1ncnc2c1c(-c1ccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c(F)c1)nn2C1CCCC1
InChIInChI=1S/C23H20F4N6O3S.C22H19ClFN7O4S.C22H20FN7O4S/c24-15-11-13(20-19-21(28)29-12-30-22(19)33(31-20)14-5-1-2-6-14)9-10-16(15)32-37(34,35)18-8-4-3-7-17(18)36-23(25,26)27;23-15-7-6-14(10-18(15)31(32)33)36(34,35)29-17-8-5-12(9-16(17)24)20-19-21(25)26-11-27-22(19)30(28-20)13-3-1-2-4-13;23-17-11-13(5-10-18(17)28-35(33,34)16-8-6-15(7-9-16)30(31)32)20-19-21(24)25-12-26-22(19)29(27-20)14-3-1-2-4-14/h3-4,7-12,14,32H,1-2,5-6H2,(H2,28,29,30);5-11,13,29H,1-4H2,(H2,25,26,27);5-12,14,28H,1-4H2,(H2,24,25,26)
InChIKeyRIAZGRCXCVSGPX-UHFFFAOYSA-N
MW1565.98 g/mol
LogP13.76
Rot. Bonds18

About N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-chloro-3-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-(trifluoromethoxy)benzenesulfonamide

N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-chloro-3-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 160632155) has the molecular formula C67H59ClF6N20O11S3 and a molecular weight of 1565.98 g/mol. Its IUPAC name is N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-chloro-3-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-chloro-3-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID160632155
Molecular FormulaC67H59ClF6N20O11S3
Molecular Weight1565.98 g/mol
Exact Mass1564.34
IUPAC NameN-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-chloro-3-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESNc1ncnc2c1c(-c1ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c(F)c1)nn2C1CCCC1.Nc1ncnc2c1c(-c1ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(F)c1)nn2C1CCCC1.Nc1ncnc2c1c(-c1ccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c(F)c1)nn2C1CCCC1
InChIInChI=1S/C23H20F4N6O3S.C22H19ClFN7O4S.C22H20FN7O4S/c24-15-11-13(20-19-21(28)29-12-30-22(19)33(31-20)14-5-1-2-6-14)9-10-16(15)32-37(34,35)18-8-4-3-7-17(18)36-23(25,26)27;23-15-7-6-14(10-18(15)31(32)33)36(34,35)29-17-8-5-12(9-16(17)24)20-19-21(25)26-11-27-22(19)30(28-20)13-3-1-2-4-13;23-17-11-13(5-10-18(17)28-35(33,34)16-8-6-15(7-9-16)30(31)32)20-19-21(24)25-12-26-22(19)29(27-20)14-3-1-2-4-14/h3-4,7-12,14,32H,1-2,5-6H2,(H2,28,29,30);5-11,13,29H,1-4H2,(H2,25,26,27);5-12,14,28H,1-4H2,(H2,24,25,26)
InChIKeyRIAZGRCXCVSGPX-UHFFFAOYSA-N
XLogP13.76
TPSA442.88 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds18
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001565.98
LogP ≤ 513.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-chloro-3-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-(trifluoromethoxy)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenyl]-2,6-dichlorobenzenesulfonamide;N-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 159359006
N-[4-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-2,6-difluorobenzenesulfinamide;5-[4-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]sulfinamoyl-2-chloro-N-hydroxybenzeneamine oxide;N-[4-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-2-(trifluoromethoxy)benzenesulfinamide;trihydrate
CID 162147019
N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-3-chlorobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-nitrobenzenesulfonamide
CID 157151821
N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-4-chlorobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-4-methoxybenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-4-methylbenzenesulfonamide
CID 160204585
N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2,4-dichlorobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-methoxy-4-methylbenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2,3,4-trichlorobenzenesulfonamide
CID 160464240

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-chloro-3-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-chloro-3-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-(trifluoromethoxy)benzenesulfonamide (CID 160632155) is N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-chloro-3-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-chloro-3-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-chloro-3-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-(trifluoromethoxy)benzenesulfonamide is Nc1ncnc2c1c(-c1ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c(F)c1)nn2C1CCCC1.Nc1ncnc2c1c(-c1ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(F)c1)nn2C1CCCC1.Nc1ncnc2c1c(-c1ccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c(F)c1)nn2C1CCCC1.
What is the InChIKey of N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-chloro-3-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is RIAZGRCXCVSGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N6O3S.C22H19ClFN7O4S.C22H20FN7O4S/c24-15-11-13(20-19-21(28)29-12-30-22(19)33(31-20)14-5-1-2-6-14)9-10-16(15)32-37(34,35)18-8-4-3-7-17(18)36-23(25,26)27;23-15-7-6-14(10-18(15)31(32)33)36(34,35)29-17-8-5-12(9-16(17)24)20-19-21(25)26-11-27-22(19)30(28-20)13-3-1-2-4-13;23-17-11-13(5-10-18(17)28-35(33,34)16-8-6-15(7-9-16)30(31)32)20-19-21(24)25-12-26-22(19)29(27-20)14-3-1-2-4-14/h3-4,7-12,14,32H,1-2,5-6H2,(H2,28,29,30);5-11,13,29H,1-4H2,(H2,25,26,27);5-12,14,28H,1-4H2,(H2,24,25,26).
What are the key properties of N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-chloro-3-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-(trifluoromethoxy)benzenesulfonamide?
N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-chloro-3-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 1565.98 g/mol, XLogP of 13.76, 18 rotatable bonds, 6 hydrogen bond donors, and 26 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]-4-chloro-3-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-nitrobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 160632155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).