2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;2-[3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-iodo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C96H109Br3IN41O3 — CID 158299564

About 2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;2-[3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-iodo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;2-[3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-iodo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158299564) has the molecular formula C96H109Br3IN41O3 and a molecular weight of 2251.83 g/mol. Its IUPAC name is 2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;2-[3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-iodo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;2-[3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-iodo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158299564
• Molecular Formula: C96H109Br3IN41O3
• Molecular Weight: 2251.83 g/mol
• Exact Mass: 2247.62
• IUPAC Name: 2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;2-[3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-iodo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Cn1cc(-c2cnn3c(N)c(I)c(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(C4CCCN(CCO)C4)nc23)cn1.N#Cc1ccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.N#Cc1ccc(-c2cnn3c(N)cc(C4CCCNC4)nc23)cn1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnn(CCO)c3)cnn12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnoc3)cnn12
• InChI: InChI=1S/C17H16BrN7.C17H23N7O.C17H17N7.C16H20BrN7O.C15H18IN7.C14H15BrN6O/c18-14-15(11-2-1-5-21-7-11)24-17-13(9-23-25(17)16(14)20)10-3-4-12(6-19)22-8-10;1-22-10-13(8-19-22)14-9-20-24-16(18)7-15(21-17(14)24)12-3-2-4-23(11-12)5-6-25;18-7-13-4-3-11(9-21-13)14-10-22-24-16(19)6-15(23-17(14)24)12-2-1-5-20-8-12;17-13-14(10-2-1-3-19-6-10)22-16-12(8-21-24(16)15(13)18)11-7-20-23(9-11)4-5-25;1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9;15-11-12(8-2-1-3-17-4-8)20-14-10(9-5-19-22-7-9)6-18-21(14)13(11)16/h3-4,8-9,11,21H,1-2,5,7,20H2;7-10,12,25H,2-6,11,18H2,1H3;3-4,6,9-10,12,20H,1-2,5,8,19H2;7-10,19,25H,1-6,18H2;6-9,18H,2-5,17H2,1H3;5-8,17H,1-4,16H2
• InChIKey: GMIJJPBPASWHFH-UHFFFAOYSA-N
• XLogP: 10.45
• TPSA: 593.96 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 44
• Rotatable Bonds: 16
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2251.83
LogP ≤ 5	10.45
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;2-[3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-iodo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;2-[3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-iodo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158299564) is 2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;2-[3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-iodo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;2-[3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-iodo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;2-[3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-iodo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(N)c(I)c(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(C4CCCN(CCO)C4)nc23)cn1.N#Cc1ccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.N#Cc1ccc(-c2cnn3c(N)cc(C4CCCNC4)nc23)cn1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnn(CCO)c3)cnn12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnoc3)cnn12.

What is the InChIKey of 2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;2-[3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-iodo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is GMIJJPBPASWHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN7.C17H23N7O.C17H17N7.C16H20BrN7O.C15H18IN7.C14H15BrN6O/c18-14-15(11-2-1-5-21-7-11)24-17-13(9-23-25(17)16(14)20)10-3-4-12(6-19)22-8-10;1-22-10-13(8-19-22)14-9-20-24-16(18)7-15(21-17(14)24)12-3-2-4-23(11-12)5-6-25;18-7-13-4-3-11(9-21-13)14-10-22-24-16(19)6-15(23-17(14)24)12-2-1-5-20-8-12;17-13-14(10-2-1-3-19-6-10)22-16-12(8-21-24(16)15(13)18)11-7-20-23(9-11)4-5-25;1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9;15-11-12(8-2-1-3-17-4-8)20-14-10(9-5-19-22-7-9)6-18-21(14)13(11)16/h3-4,8-9,11,21H,1-2,5,7,20H2;7-10,12,25H,2-6,11,18H2,1H3;3-4,6,9-10,12,20H,1-2,5,8,19H2;7-10,19,25H,1-6,18H2;6-9,18H,2-5,17H2,1H3;5-8,17H,1-4,16H2.

What are the key properties of 2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;2-[3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-iodo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;2-[3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-iodo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2251.83 g/mol, XLogP of 10.45, 16 rotatable bonds, 13 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;2-[3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-iodo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158299564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).