N-(2-aminoethyl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;3-bromo-5-N-cyclohexyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(2S)-1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;N-[2-(dimethylamino)ethyl]-4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide

C81H89Br3N22O9S4 — CID 159666325

About N-(2-aminoethyl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;3-bromo-5-N-cyclohexyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(2S)-1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;N-[2-(dimethylamino)ethyl]-4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide

N-(2-aminoethyl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;3-bromo-5-N-cyclohexyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(2S)-1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;N-[2-(dimethylamino)ethyl]-4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide (PubChem CID 159666325) has the molecular formula C81H89Br3N22O9S4 and a molecular weight of 1882.73 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;3-bromo-5-N-cyclohexyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(2S)-1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;N-[2-(dimethylamino)ethyl]-4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;3-bromo-5-N-cyclohexyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(2S)-1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;N-[2-(dimethylamino)ethyl]-4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide
• PubChem CID: 159666325
• Molecular Formula: C81H89Br3N22O9S4
• Molecular Weight: 1882.73 g/mol
• Exact Mass: 1878.36
• IUPAC Name: N-(2-aminoethyl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;3-bromo-5-N-cyclohexyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(2S)-1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;N-[2-(dimethylamino)ethyl]-4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide
• SMILES: CCc1cnn2c(Nc3ccc(S(=O)(=O)NCCN(C)C)cc3)cc(-c3ccccc3)nc12.CS(=O)(=O)c1ccc(Nc2cc(N3CCC[C@H]3CO)nc3c(Br)cnn23)cc1.CS(=O)(=O)c1ccc(Nc2cc(NC3CCCCC3)nc3c(Br)cnn23)cc1.NCCNS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1
• InChI: InChI=1S/C24H28N6O2S.C20H19BrN6O2S.C19H22BrN5O2S.C18H20BrN5O3S/c1-4-18-17-25-30-23(16-22(28-24(18)30)19-8-6-5-7-9-19)27-20-10-12-21(13-11-20)33(31,32)26-14-15-29(2)3;21-17-13-23-27-19(12-18(26-20(17)27)14-4-2-1-3-5-14)25-15-6-8-16(9-7-15)30(28,29)24-11-10-22;1-28(26,27)15-9-7-14(8-10-15)23-18-11-17(22-13-5-3-2-4-6-13)24-19-16(20)12-21-25(18)19;1-28(26,27)14-6-4-12(5-7-14)21-17-9-16(23-8-2-3-13(23)11-25)22-18-15(19)10-20-24(17)18/h5-13,16-17,26-27H,4,14-15H2,1-3H3;1-9,12-13,24-25H,10-11,22H2;7-13,23H,2-6H2,1H3,(H,22,24);4-7,9-10,13,21,25H,2-3,8,11H2,1H3/t;;;13-/m...0/s1
• InChIKey: MTLHWGMAIOFOOL-MJCDGFDZSA-N
• XLogP: 13.67
• TPSA: 394.26 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 26
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1882.73
LogP ≤ 5	13.67
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;3-bromo-5-N-cyclohexyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(2S)-1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;N-[2-(dimethylamino)ethyl]-4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide?

The IUPAC name of N-(2-aminoethyl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;3-bromo-5-N-cyclohexyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(2S)-1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;N-[2-(dimethylamino)ethyl]-4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide (CID 159666325) is N-(2-aminoethyl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;3-bromo-5-N-cyclohexyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(2S)-1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;N-[2-(dimethylamino)ethyl]-4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide.

What is the SMILES notation for N-(2-aminoethyl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;3-bromo-5-N-cyclohexyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(2S)-1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;N-[2-(dimethylamino)ethyl]-4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide?

The canonical SMILES for N-(2-aminoethyl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;3-bromo-5-N-cyclohexyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(2S)-1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;N-[2-(dimethylamino)ethyl]-4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide is CCc1cnn2c(Nc3ccc(S(=O)(=O)NCCN(C)C)cc3)cc(-c3ccccc3)nc12.CS(=O)(=O)c1ccc(Nc2cc(N3CCC[C@H]3CO)nc3c(Br)cnn23)cc1.CS(=O)(=O)c1ccc(Nc2cc(NC3CCCCC3)nc3c(Br)cnn23)cc1.NCCNS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.

What is the InChIKey of N-(2-aminoethyl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;3-bromo-5-N-cyclohexyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(2S)-1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;N-[2-(dimethylamino)ethyl]-4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide?

The InChIKey is MTLHWGMAIOFOOL-MJCDGFDZSA-N. The full InChI is InChI=1S/C24H28N6O2S.C20H19BrN6O2S.C19H22BrN5O2S.C18H20BrN5O3S/c1-4-18-17-25-30-23(16-22(28-24(18)30)19-8-6-5-7-9-19)27-20-10-12-21(13-11-20)33(31,32)26-14-15-29(2)3;21-17-13-23-27-19(12-18(26-20(17)27)14-4-2-1-3-5-14)25-15-6-8-16(9-7-15)30(28,29)24-11-10-22;1-28(26,27)15-9-7-14(8-10-15)23-18-11-17(22-13-5-3-2-4-6-13)24-19-16(20)12-21-25(18)19;1-28(26,27)14-6-4-12(5-7-14)21-17-9-16(23-8-2-3-13(23)11-25)22-18-15(19)10-20-24(17)18/h5-13,16-17,26-27H,4,14-15H2,1-3H3;1-9,12-13,24-25H,10-11,22H2;7-13,23H,2-6H2,1H3,(H,22,24);4-7,9-10,13,21,25H,2-3,8,11H2,1H3/t;;;13-/m...0/s1.

What are the key properties of N-(2-aminoethyl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;3-bromo-5-N-cyclohexyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(2S)-1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;N-[2-(dimethylamino)ethyl]-4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide?

N-(2-aminoethyl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;3-bromo-5-N-cyclohexyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(2S)-1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;N-[2-(dimethylamino)ethyl]-4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide has a molecular weight of 1882.73 g/mol, XLogP of 13.67, 26 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;3-bromo-5-N-cyclohexyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;[(2S)-1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;N-[2-(dimethylamino)ethyl]-4-[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide is sourced from PubChem (CID 159666325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).