5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C38H56N14OSi — CID 160637867

About 5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 160637867) has the molecular formula C38H56N14OSi and a molecular weight of 753.05 g/mol. Its IUPAC name is 5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 160637867
• Molecular Formula: C38H56N14OSi
• Molecular Weight: 753.05 g/mol
• Exact Mass: 752.45
• IUPAC Name: 5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Cn1cc(-c2cnn3c(N)cc(C4CCCN(CCO[Si](C)(C)C(C)(C)C)C4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(C4CCCNC4)nc23)cn1
• InChI: InChI=1S/C23H37N7OSi.C15H19N7/c1-23(2,3)32(5,6)31-11-10-29-9-7-8-17(16-29)20-12-21(24)30-22(27-20)19(14-26-30)18-13-25-28(4)15-18;1-21-9-11(7-18-21)12-8-19-22-14(16)5-13(20-15(12)22)10-3-2-4-17-6-10/h12-15,17H,7-11,16,24H2,1-6H3;5,7-10,17H,2-4,6,16H2,1H3
• InChIKey: RITVYLOIQNUBHK-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 172.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	753.05
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 160637867) is 5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(N)cc(C4CCCN(CCO[Si](C)(C)C(C)(C)C)C4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(C4CCCNC4)nc23)cn1.

What is the InChIKey of 5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is RITVYLOIQNUBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N7OSi.C15H19N7/c1-23(2,3)32(5,6)31-11-10-29-9-7-8-17(16-29)20-12-21(24)30-22(27-20)19(14-26-30)18-13-25-28(4)15-18;1-21-9-11(7-18-21)12-8-19-22-14(16)5-13(20-15(12)22)10-3-2-4-17-6-10/h12-15,17H,7-11,16,24H2,1-6H3;5,7-10,17H,2-4,6,16H2,1H3.

What are the key properties of 5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 753.05 g/mol, XLogP of 5.09, 8 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 160637867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).