[(1S,2R)-2-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)propyl]benzenesulfonamide

C111H120Br5N27O15S5 — CID 157199872

About [(1S,2R)-2-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)propyl]benzenesulfonamide

[(1S,2R)-2-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)propyl]benzenesulfonamide (PubChem CID 157199872) has the molecular formula C111H120Br5N27O15S5 and a molecular weight of 2632.21 g/mol. Its IUPAC name is [(1S,2R)-2-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)propyl]benzenesulfonamide.

Molecular Properties

• Compound Name: [(1S,2R)-2-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)propyl]benzenesulfonamide
• PubChem CID: 157199872
• Molecular Formula: C111H120Br5N27O15S5
• Molecular Weight: 2632.21 g/mol
• Exact Mass: 2625.40
• IUPAC Name: [(1S,2R)-2-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)propyl]benzenesulfonamide
• SMILES: CN(C)CC(C)(C)CNS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.CN(C)CCCNS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.CS(=O)(=O)c1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3CO)nc3c(Br)cnn23)cc1.O=S(=O)(NC(CO)CO)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.O=S(=O)(c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1)N(CCO)CCO
• InChI: InChI=1S/C25H29BrN6O2S.C23H25BrN6O2S.C22H22BrN5O4S.C21H20BrN5O4S.C20H24BrN5O3S/c1-25(2,17-31(3)4)16-28-35(33,34)20-12-10-19(11-13-20)29-23-14-22(18-8-6-5-7-9-18)30-24-21(26)15-27-32(23)24;1-29(2)14-6-13-26-33(31,32)19-11-9-18(10-12-19)27-22-15-21(17-7-4-3-5-8-17)28-23-20(24)16-25-30(22)23;23-19-15-24-28-21(14-20(26-22(19)28)16-4-2-1-3-5-16)25-17-6-8-18(9-7-17)33(31,32)27(10-12-29)11-13-30;22-18-11-23-27-20(10-19(25-21(18)27)14-4-2-1-3-5-14)24-15-6-8-17(9-7-15)32(30,31)26-16(12-28)13-29;1-30(28,29)15-8-6-14(7-9-15)23-19-10-18(25-20-16(21)11-22-26(19)20)24-17-5-3-2-4-13(17)12-27/h5-15,28-29H,16-17H2,1-4H3;3-5,7-12,15-16,26-27H,6,13-14H2,1-2H3;1-9,14-15,25,29-30H,10-13H2;1-11,16,24,26,28-29H,12-13H2;6-11,13,17,23,27H,2-5,12H2,1H3,(H,24,25)/t;;;;13-,17-/m....1/s1
• InChIKey: AQRGQDKXRMMGRG-KNILAQDNSA-N
• XLogP: 17.91
• TPSA: 540.79 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 38
• Rotatable Bonds: 41
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2632.21
LogP ≤ 5	17.91
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)propyl]benzenesulfonamide?

The IUPAC name of [(1S,2R)-2-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)propyl]benzenesulfonamide (CID 157199872) is [(1S,2R)-2-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)propyl]benzenesulfonamide.

What is the SMILES notation for [(1S,2R)-2-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)propyl]benzenesulfonamide?

The canonical SMILES for [(1S,2R)-2-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)propyl]benzenesulfonamide is CN(C)CC(C)(C)CNS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.CN(C)CCCNS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.CS(=O)(=O)c1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3CO)nc3c(Br)cnn23)cc1.O=S(=O)(NC(CO)CO)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.O=S(=O)(c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1)N(CCO)CCO.

What is the InChIKey of [(1S,2R)-2-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)propyl]benzenesulfonamide?

The InChIKey is AQRGQDKXRMMGRG-KNILAQDNSA-N. The full InChI is InChI=1S/C25H29BrN6O2S.C23H25BrN6O2S.C22H22BrN5O4S.C21H20BrN5O4S.C20H24BrN5O3S/c1-25(2,17-31(3)4)16-28-35(33,34)20-12-10-19(11-13-20)29-23-14-22(18-8-6-5-7-9-18)30-24-21(26)15-27-32(23)24;1-29(2)14-6-13-26-33(31,32)19-11-9-18(10-12-19)27-22-15-21(17-7-4-3-5-8-17)28-23-20(24)16-25-30(22)23;23-19-15-24-28-21(14-20(26-22(19)28)16-4-2-1-3-5-16)25-17-6-8-18(9-7-17)33(31,32)27(10-12-29)11-13-30;22-18-11-23-27-20(10-19(25-21(18)27)14-4-2-1-3-5-14)24-15-6-8-17(9-7-15)32(30,31)26-16(12-28)13-29;1-30(28,29)15-8-6-14(7-9-15)23-19-10-18(25-20-16(21)11-22-26(19)20)24-17-5-3-2-4-13(17)12-27/h5-15,28-29H,16-17H2,1-4H3;3-5,7-12,15-16,26-27H,6,13-14H2,1-2H3;1-9,14-15,25,29-30H,10-13H2;1-11,16,24,26,28-29H,12-13H2;6-11,13,17,23,27H,2-5,12H2,1H3,(H,24,25)/t;;;;13-,17-/m....1/s1.

What are the key properties of [(1S,2R)-2-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)propyl]benzenesulfonamide?

[(1S,2R)-2-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)propyl]benzenesulfonamide has a molecular weight of 2632.21 g/mol, XLogP of 17.91, 41 rotatable bonds, 14 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2R)-2-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 157199872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).