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

C84H68Br6N25O2S3+ — CID 158809184

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

3-bromo-5-(3-bromothiophen-2-yl)-N-[(1-methoxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(3-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol;3-ethynyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158809184) has the molecular formula C84H68Br6N25O2S3+ and a molecular weight of 2035.27 g/mol. Its IUPAC name is 3-bromo-5-(3-bromothiophen-2-yl)-N-[(1-methoxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(3-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol;3-ethynyl-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-methoxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(3-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol;3-ethynyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158809184
• Molecular Formula: C84H68Br6N25O2S3+
• Molecular Weight: 2035.27 g/mol
• Exact Mass: 2028.02
• IUPAC Name: 3-bromo-5-(3-bromothiophen-2-yl)-N-[(1-methoxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(3-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol;3-ethynyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Brc1ccsc1-c1cc(NCc2cccnc2)n2ncc(Br)c2n1.C#Cc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12.CC(O)c1cc(NCc2cccnc2)n2ncc(Br)c2n1.CO[n+]1cccc(CNc2cc(-c3sccc3Br)nc3c(Br)cnn23)c1.Cc1ccsc1-c1cc(NCc2cccnc2)n2ncc(Br)c2n1
• InChI: InChI=1S/C20H15N5.C17H14Br2N5OS.C17H14BrN5S.C16H11Br2N5S.C14H14BrN5O/c1-2-16-14-23-25-19(22-13-15-7-6-10-21-12-15)11-18(24-20(16)25)17-8-4-3-5-9-17;1-25-23-5-2-3-11(10-23)8-20-15-7-14(16-12(18)4-6-26-16)22-17-13(19)9-21-24(15)17;1-11-4-6-24-16(11)14-7-15(20-9-12-3-2-5-19-8-12)23-17(22-14)13(18)10-21-23;17-11-3-5-24-15(11)13-6-14(20-8-10-2-1-4-19-7-10)23-16(22-13)12(18)9-21-23;1-9(21)12-5-13(17-7-10-3-2-4-16-6-10)20-14(19-12)11(15)8-18-20/h1,3-12,14,22H,13H2;2-7,9-10,20H,8H2,1H3;2-8,10,20H,9H2,1H3;1-7,9,20H,8H2;2-6,8-9,17,21H,7H2,1H3/q;+1
• InChIKey: IULOYNGQTHARDY-UHFFFAOYSA-N
• XLogP: 19.40
• TPSA: 296.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2035.27
LogP ≤ 5	19.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'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-methoxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(3-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol;3-ethynyl-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-methoxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(3-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol;3-ethynyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 158809184) is 3-bromo-5-(3-bromothiophen-2-yl)-N-[(1-methoxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(3-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol;3-ethynyl-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-methoxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(3-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol;3-ethynyl-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-methoxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(3-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol;3-ethynyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Brc1ccsc1-c1cc(NCc2cccnc2)n2ncc(Br)c2n1.C#Cc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12.CC(O)c1cc(NCc2cccnc2)n2ncc(Br)c2n1.CO[n+]1cccc(CNc2cc(-c3sccc3Br)nc3c(Br)cnn23)c1.Cc1ccsc1-c1cc(NCc2cccnc2)n2ncc(Br)c2n1.

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

The InChIKey is IULOYNGQTHARDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5.C17H14Br2N5OS.C17H14BrN5S.C16H11Br2N5S.C14H14BrN5O/c1-2-16-14-23-25-19(22-13-15-7-6-10-21-12-15)11-18(24-20(16)25)17-8-4-3-5-9-17;1-25-23-5-2-3-11(10-23)8-20-15-7-14(16-12(18)4-6-26-16)22-17-13(19)9-21-24(15)17;1-11-4-6-24-16(11)14-7-15(20-9-12-3-2-5-19-8-12)23-17(22-14)13(18)10-21-23;17-11-3-5-24-15(11)13-6-14(20-8-10-2-1-4-19-7-10)23-16(22-13)12(18)9-21-23;1-9(21)12-5-13(17-7-10-3-2-4-16-6-10)20-14(19-12)11(15)8-18-20/h1,3-12,14,22H,13H2;2-7,9-10,20H,8H2,1H3;2-8,10,20H,9H2,1H3;1-7,9,20H,8H2;2-6,8-9,17,21H,7H2,1H3/q;+1;;;.

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

3-bromo-5-(3-bromothiophen-2-yl)-N-[(1-methoxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(3-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol;3-ethynyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2035.27 g/mol, XLogP of 19.40, 21 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-(3-bromothiophen-2-yl)-N-[(1-methoxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(3-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanol;3-ethynyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158809184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).