N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide

C81H73Br4F3N22O5S2 — CID 158790154

About N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide

N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide (PubChem CID 158790154) has the molecular formula C81H73Br4F3N22O5S2 and a molecular weight of 1875.37 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide
• PubChem CID: 158790154
• Molecular Formula: C81H73Br4F3N22O5S2
• Molecular Weight: 1875.37 g/mol
• Exact Mass: 1870.23
• IUPAC Name: N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide
• SMILES: Brc1cnn2c(NCc3ccc4nc[nH]c4c3)cc(C3CCNCC3)nc12.CN(C)S(=O)(=O)c1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.CNC(=O)c1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.CNS(=O)(=O)c1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1
• InChI: InChI=1S/C21H19BrFN5O2S.C21H17BrFN5O.C20H17BrFN5O2S.C19H20BrN7/c1-27(2)31(29,30)15-9-7-14(8-10-15)12-24-20-11-19(16-5-3-4-6-18(16)23)26-21-17(22)13-25-28(20)21;1-24-21(29)14-8-6-13(7-9-14)11-25-19-10-18(15-4-2-3-5-17(15)23)27-20-16(22)12-26-28(19)20;1-23-30(28,29)14-8-6-13(7-9-14)11-24-19-10-18(15-4-2-3-5-17(15)22)26-20-16(21)12-25-27(19)20;20-14-10-25-27-18(8-16(26-19(14)27)13-3-5-21-6-4-13)22-9-12-1-2-15-17(7-12)24-11-23-15/h3-11,13,24H,12H2,1-2H3;2-10,12,25H,11H2,1H3,(H,24,29);2-10,12,23-24H,11H2,1H3;1-2,7-8,10-11,13,21-22H,3-6,9H2,(H,23,24)
• InChIKey: ISEDCTRRVGVZGE-UHFFFAOYSA-N
• XLogP: 15.70
• TPSA: 322.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1875.37
LogP ≤ 5	15.70
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide?

The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide (CID 158790154) is N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide.

What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide?

The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide is Brc1cnn2c(NCc3ccc4nc[nH]c4c3)cc(C3CCNCC3)nc12.CN(C)S(=O)(=O)c1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.CNC(=O)c1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.CNS(=O)(=O)c1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.

What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide?

The InChIKey is ISEDCTRRVGVZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrFN5O2S.C21H17BrFN5O.C20H17BrFN5O2S.C19H20BrN7/c1-27(2)31(29,30)15-9-7-14(8-10-15)12-24-20-11-19(16-5-3-4-6-18(16)23)26-21-17(22)13-25-28(20)21;1-24-21(29)14-8-6-13(7-9-14)11-25-19-10-18(15-4-2-3-5-17(15)23)27-20-16(22)12-26-28(19)20;1-23-30(28,29)14-8-6-13(7-9-14)11-24-19-10-18(15-4-2-3-5-17(15)22)26-20-16(21)12-25-27(19)20;20-14-10-25-27-18(8-16(26-19(14)27)13-3-5-21-6-4-13)22-9-12-1-2-15-17(7-12)24-11-23-15/h3-11,13,24H,12H2,1-2H3;2-10,12,25H,11H2,1H3,(H,24,29);2-10,12,23-24H,11H2,1H3;1-2,7-8,10-11,13,21-22H,3-6,9H2,(H,23,24).

What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide?

N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide has a molecular weight of 1875.37 g/mol, XLogP of 15.70, 21 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 158790154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).