3-bromo-5-(3-bromothiophen-2-yl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol;3-ethynyl-5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-ethynyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C126H105Br5FN39O2S — CID 159052900

About 3-bromo-5-(3-bromothiophen-2-yl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol;3-ethynyl-5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-ethynyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-(3-bromothiophen-2-yl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol;3-ethynyl-5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-ethynyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159052900) has the molecular formula C126H105Br5FN39O2S and a molecular weight of 2648.08 g/mol. Its IUPAC name is 3-bromo-5-(3-bromothiophen-2-yl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol;3-ethynyl-5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-ethynyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 3-bromo-5-(3-bromothiophen-2-yl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol;3-ethynyl-5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-ethynyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 159052900
• Molecular Formula: C126H105Br5FN39O2S
• Molecular Weight: 2648.08 g/mol
• Exact Mass: 2641.49
• IUPAC Name: 3-bromo-5-(3-bromothiophen-2-yl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol;3-ethynyl-5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-ethynyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: C#Cc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12.C#Cc1cnn2c(NCc3cccnc3)cc(-c3ccccc3F)nc12.CC(O)c1cc(NCc2cccnc2)n2ncc(Br)c2n1.CN(C)c1ncc(CNc2cc(-c3ccccc3)nc3c(Br)cnn23)cn1.CNc1ncc(CNc2cc(-c3ccccc3)nc3c(Br)cnn23)cn1.Cc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12.[O-][n+]1cccc(CNc2cc(-c3sccc3Br)nc3c(Br)cnn23)c1
• InChI: InChI=1S/C20H14FN5.C20H15N5.C19H18BrN7.C19H17N5.C18H16BrN7.C16H11Br2N5OS.C14H14BrN5O/c1-2-15-13-24-26-19(23-12-14-6-5-9-22-11-14)10-18(25-20(15)26)16-7-3-4-8-17(16)21;1-2-16-14-23-25-19(22-13-15-7-6-10-21-12-15)11-18(24-20(16)25)17-8-4-3-5-9-17;1-26(2)19-22-10-13(11-23-19)9-21-17-8-16(14-6-4-3-5-7-14)25-18-15(20)12-24-27(17)18;1-14-11-22-24-18(21-13-15-6-5-9-20-12-15)10-17(23-19(14)24)16-7-3-2-4-8-16;1-20-18-22-9-12(10-23-18)8-21-16-7-15(13-5-3-2-4-6-13)25-17-14(19)11-24-26(16)17;17-11-3-5-25-15(11)13-6-14(23-16(21-13)12(18)8-20-23)19-7-10-2-1-4-22(24)9-10;1-9(21)12-5-13(17-7-10-3-2-4-16-6-10)20-14(19-12)11(15)8-18-20/h1,3-11,13,23H,12H2;1,3-12,14,22H,13H2;3-8,10-12,21H,9H2,1-2H3;2-12,21H,13H2,1H3;2-7,9-11,21H,8H2,1H3,(H,20,22,23);1-6,8-9,19H,7H2;2-6,8-9,17,21H,7H2,1H3
• InChIKey: JXMMHNDUVVDETN-UHFFFAOYSA-N
• XLogP: 24.63
• TPSA: 461.10 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 41
• Rotatable Bonds: 30
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2648.08
LogP ≤ 5	24.63
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3-bromothiophen-2-yl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol;3-ethynyl-5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-ethynyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 3-bromo-5-(3-bromothiophen-2-yl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol;3-ethynyl-5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-ethynyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 159052900) is 3-bromo-5-(3-bromothiophen-2-yl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol;3-ethynyl-5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-ethynyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 3-bromo-5-(3-bromothiophen-2-yl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol;3-ethynyl-5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-ethynyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 3-bromo-5-(3-bromothiophen-2-yl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol;3-ethynyl-5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-ethynyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is C#Cc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12.C#Cc1cnn2c(NCc3cccnc3)cc(-c3ccccc3F)nc12.CC(O)c1cc(NCc2cccnc2)n2ncc(Br)c2n1.CN(C)c1ncc(CNc2cc(-c3ccccc3)nc3c(Br)cnn23)cn1.CNc1ncc(CNc2cc(-c3ccccc3)nc3c(Br)cnn23)cn1.Cc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12.[O-][n+]1cccc(CNc2cc(-c3sccc3Br)nc3c(Br)cnn23)c1.

What is the InChIKey of 3-bromo-5-(3-bromothiophen-2-yl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol;3-ethynyl-5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-ethynyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is JXMMHNDUVVDETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5.C20H15N5.C19H18BrN7.C19H17N5.C18H16BrN7.C16H11Br2N5OS.C14H14BrN5O/c1-2-15-13-24-26-19(23-12-14-6-5-9-22-11-14)10-18(25-20(15)26)16-7-3-4-8-17(16)21;1-2-16-14-23-25-19(22-13-15-7-6-10-21-12-15)11-18(24-20(16)25)17-8-4-3-5-9-17;1-26(2)19-22-10-13(11-23-19)9-21-17-8-16(14-6-4-3-5-7-14)25-18-15(20)12-24-27(17)18;1-14-11-22-24-18(21-13-15-6-5-9-20-12-15)10-17(23-19(14)24)16-7-3-2-4-8-16;1-20-18-22-9-12(10-23-18)8-21-16-7-15(13-5-3-2-4-6-13)25-17-14(19)11-24-26(16)17;17-11-3-5-25-15(11)13-6-14(23-16(21-13)12(18)8-20-23)19-7-10-2-1-4-22(24)9-10;1-9(21)12-5-13(17-7-10-3-2-4-16-6-10)20-14(19-12)11(15)8-18-20/h1,3-11,13,23H,12H2;1,3-12,14,22H,13H2;3-8,10-12,21H,9H2,1-2H3;2-12,21H,13H2,1H3;2-7,9-11,21H,8H2,1H3,(H,20,22,23);1-6,8-9,19H,7H2;2-6,8-9,17,21H,7H2,1H3.

What are the key properties of 3-bromo-5-(3-bromothiophen-2-yl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol;3-ethynyl-5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-ethynyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?

3-bromo-5-(3-bromothiophen-2-yl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol;3-ethynyl-5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-ethynyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2648.08 g/mol, XLogP of 24.63, 30 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-(3-bromothiophen-2-yl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol;3-ethynyl-5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-ethynyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159052900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).