6-bromo-5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C₁₁₄H₁₃₄BrClN₃₆O₂S₃ — CID 159480527

About 6-bromo-5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159480527) has the molecular formula C₁₁₄H₁₃₄BrClN₃₆O₂S₃ and a molecular weight of 2252.13 g/mol. Its IUPAC name is 6-bromo-5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 6-bromo-5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 159480527
• Molecular Formula: C₁₁₄H₁₃₄BrClN₃₆O₂S₃
• Molecular Weight: 2252.13 g/mol
• Exact Mass: 2248.95
• IUPAC Name: 6-bromo-5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: C/C=C/c1cnn2c(N)cc(C3CCCNC3)nc12.CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@H]3CCO)nc12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3ccsc3)cnn12.Nc1c(Cl)c(C2CCCNC2)nc2c(-c3ccccc3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3ccccc3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3cccs3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3ccsc3)cnn12
• InChI: InChI=1S/C21H28N6O2.C17H18ClN5.C17H19N5.C15H16BrN5S.2C15H17N5S.C14H19N5/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28;18-14-15(12-7-4-8-20-9-12)22-17-13(10-21-23(17)16(14)19)11-5-2-1-3-6-11;18-16-9-15(13-7-4-8-19-10-13)21-17-14(11-20-22(16)17)12-5-2-1-3-6-12;16-12-13(9-2-1-4-18-6-9)20-15-11(10-3-5-22-8-10)7-19-21(15)14(12)17;16-14-7-12(10-3-1-5-17-8-10)19-15-11(9-18-20(14)15)13-4-2-6-21-13;16-14-6-13(10-2-1-4-17-7-10)19-15-12(8-18-20(14)15)11-3-5-21-9-11;1-2-4-11-9-17-19-13(15)7-12(18-14(11)19)10-5-3-6-16-8-10/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3;1-3,5-6,10,12,20H,4,7-9,19H2;1-3,5-6,9,11,13,19H,4,7-8,10,18H2;3,5,7-9,18H,1-2,4,6,17H2;2,4,6-7,9-10,17H,1,3,5,8,16H2;3,5-6,8-10,17H,1-2,4,7,16H2;2,4,7,9-10,16H,3,5-6,8,15H2,1H3/b;;;;;;4-2+/t18-;;;;;;/m0....../s1
• InChIKey: LWYFDSNXIANNFR-UPVHRYPFSA-N
• XLogP: 17.92
• TPSA: 502.07 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 40
• Rotatable Bonds: 19
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2252.13
LogP ≤ 5	17.92
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 6-bromo-5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 159480527) is 6-bromo-5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 6-bromo-5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 6-bromo-5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is C/C=C/c1cnn2c(N)cc(C3CCCNC3)nc12.CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@H]3CCO)nc12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3ccsc3)cnn12.Nc1c(Cl)c(C2CCCNC2)nc2c(-c3ccccc3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3ccccc3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3cccs3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3ccsc3)cnn12.

What is the InChIKey of 6-bromo-5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is LWYFDSNXIANNFR-UPVHRYPFSA-N. The full InChI is InChI=1S/C21H28N6O2.C17H18ClN5.C17H19N5.C15H16BrN5S.2C15H17N5S.C14H19N5/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28;18-14-15(12-7-4-8-20-9-12)22-17-13(10-21-23(17)16(14)19)11-5-2-1-3-6-11;18-16-9-15(13-7-4-8-19-10-13)21-17-14(11-20-22(16)17)12-5-2-1-3-6-12;16-12-13(9-2-1-4-18-6-9)20-15-11(10-3-5-22-8-10)7-19-21(15)14(12)17;16-14-7-12(10-3-1-5-17-8-10)19-15-11(9-18-20(14)15)13-4-2-6-21-13;16-14-6-13(10-2-1-4-17-7-10)19-15-12(8-18-20(14)15)11-3-5-21-9-11;1-2-4-11-9-17-19-13(15)7-12(18-14(11)19)10-5-3-6-16-8-10/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3;1-3,5-6,10,12,20H,4,7-9,19H2;1-3,5-6,9,11,13,19H,4,7-8,10,18H2;3,5,7-9,18H,1-2,4,6,17H2;2,4,6-7,9-10,17H,1,3,5,8,16H2;3,5-6,8-10,17H,1-2,4,7,16H2;2,4,7,9-10,16H,3,5-6,8,15H2,1H3/b;;;;;;4-2+/t18-;;;;;;/m0....../s1.

What are the key properties of 6-bromo-5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

6-bromo-5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2252.13 g/mol, XLogP of 17.92, 19 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159480527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159480527 — identifiers, structure, computed properties (public domain)

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