N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-[(3-chloro-2-cyanophenyl)methyl]benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-fluorobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-methylbenzenesulfonamide

C75H67Cl2F4N19O6S3 — CID 158777087

About N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-[(3-chloro-2-cyanophenyl)methyl]benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-fluorobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-methylbenzenesulfonamide

N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-[(3-chloro-2-cyanophenyl)methyl]benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-fluorobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-methylbenzenesulfonamide (PubChem CID 158777087) has the molecular formula C75H67Cl2F4N19O6S3 and a molecular weight of 1573.59 g/mol. Its IUPAC name is N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-[(3-chloro-2-cyanophenyl)methyl]benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-fluorobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-[(3-chloro-2-cyanophenyl)methyl]benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-fluorobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-methylbenzenesulfonamide
• PubChem CID: 158777087
• Molecular Formula: C75H67Cl2F4N19O6S3
• Molecular Weight: 1573.59 g/mol
• Exact Mass: 1571.40
• IUPAC Name: N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-[(3-chloro-2-cyanophenyl)methyl]benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-fluorobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-methylbenzenesulfonamide
• SMILES: Cc1ccccc1S(=O)(=O)Nc1ccc(-c2nn(C3CCCC3)c3ncnc(N)c23)cc1F.N#Cc1c(Cl)cccc1Cc1ccc(S(=O)(=O)Nc2ccc(-c3nn(C4CCCC4)c4ncnc(N)c34)cc2F)cc1.Nc1ncnc2c1c(-c1ccc(NS(=O)(=O)c3ccc(F)cc3Cl)c(F)c1)nn2C1CCCC1
• InChI: InChI=1S/C30H25ClFN7O2S.C23H23FN6O2S.C22H19ClF2N6O2S/c31-24-7-3-4-19(23(24)16-33)14-18-8-11-22(12-9-18)42(40,41)38-26-13-10-20(15-25(26)32)28-27-29(34)35-17-36-30(27)39(37-28)21-5-1-2-6-21;1-14-6-2-5-9-19(14)33(31,32)29-18-11-10-15(12-17(18)24)21-20-22(25)26-13-27-23(20)30(28-21)16-7-3-4-8-16;23-15-10-13(24)6-8-18(15)34(32,33)30-17-7-5-12(9-16(17)25)20-19-21(26)27-11-28-22(19)31(29-20)14-3-1-2-4-14/h3-4,7-13,15,17,21,38H,1-2,5-6,14H2,(H2,34,35,36);2,5-6,9-13,16,29H,3-4,7-8H2,1H3,(H2,25,26,27);5-11,14,30H,1-4H2,(H2,26,27,28)
• InChIKey: IQPGNSOGKHGKPP-UHFFFAOYSA-N
• XLogP: 15.61
• TPSA: 371.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1573.59
LogP ≤ 5	15.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-[(3-chloro-2-cyanophenyl)methyl]benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-fluorobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-methylbenzenesulfonamide?

The IUPAC name of N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-[(3-chloro-2-cyanophenyl)methyl]benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-fluorobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-methylbenzenesulfonamide (CID 158777087) is N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-[(3-chloro-2-cyanophenyl)methyl]benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-fluorobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-methylbenzenesulfonamide.

What is the SMILES notation for N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-[(3-chloro-2-cyanophenyl)methyl]benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-fluorobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-methylbenzenesulfonamide?

The canonical SMILES for N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-[(3-chloro-2-cyanophenyl)methyl]benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-fluorobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccc(-c2nn(C3CCCC3)c3ncnc(N)c23)cc1F.N#Cc1c(Cl)cccc1Cc1ccc(S(=O)(=O)Nc2ccc(-c3nn(C4CCCC4)c4ncnc(N)c34)cc2F)cc1.Nc1ncnc2c1c(-c1ccc(NS(=O)(=O)c3ccc(F)cc3Cl)c(F)c1)nn2C1CCCC1.

What is the InChIKey of N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-[(3-chloro-2-cyanophenyl)methyl]benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-fluorobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-methylbenzenesulfonamide?

The InChIKey is IQPGNSOGKHGKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClFN7O2S.C23H23FN6O2S.C22H19ClF2N6O2S/c31-24-7-3-4-19(23(24)16-33)14-18-8-11-22(12-9-18)42(40,41)38-26-13-10-20(15-25(26)32)28-27-29(34)35-17-36-30(27)39(37-28)21-5-1-2-6-21;1-14-6-2-5-9-19(14)33(31,32)29-18-11-10-15(12-17(18)24)21-20-22(25)26-13-27-23(20)30(28-21)16-7-3-4-8-16;23-15-10-13(24)6-8-18(15)34(32,33)30-17-7-5-12(9-16(17)25)20-19-21(26)27-11-28-22(19)31(29-20)14-3-1-2-4-14/h3-4,7-13,15,17,21,38H,1-2,5-6,14H2,(H2,34,35,36);2,5-6,9-13,16,29H,3-4,7-8H2,1H3,(H2,25,26,27);5-11,14,30H,1-4H2,(H2,26,27,28).

What are the key properties of N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-[(3-chloro-2-cyanophenyl)methyl]benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-fluorobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-methylbenzenesulfonamide?

N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-4-[(3-chloro-2-cyanophenyl)methyl]benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-fluorobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-methylbenzenesulfonamide has a molecular weight of 1573.59 g/mol, XLogP of 15.61, 17 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]-4-[(3-chloro-2-cyanophenyl)methyl]benzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-chloro-4-fluorobenzenesulfonamide;N-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 158777087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).