5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate

C51H70N14O4Si2 — CID 162158012

About 5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate

5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate (PubChem CID 162158012) has the molecular formula C51H70N14O4Si2 and a molecular weight of 999.39 g/mol. Its IUPAC name is 5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: 5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
• PubChem CID: 162158012
• Molecular Formula: C51H70N14O4Si2
• Molecular Weight: 999.39 g/mol
• Exact Mass: 998.52
• IUPAC Name: 5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(C#N)nc4)c3n2)C1.N#Cc1ccc(-c2cnn3c(N)cc(C4CCCNC4)nc23)cn1
• InChI: InChI=1S/C34H53N7O4Si2.C17H17N7/c1-34(2,3)45-33(42)39-14-10-11-27(23-39)30-19-31(40(24-43-15-17-46(4,5)6)25-44-16-18-47(7,8)9)41-32(38-30)29(22-37-41)26-12-13-28(20-35)36-21-26;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/h12-13,19,21-22,27H,10-11,14-18,23-25H2,1-9H3;3-4,6,9-10,12,20H,1-2,5,8,19H2
• InChIKey: ZMBYIBYPDLWOSV-UHFFFAOYSA-N
• XLogP: 8.92
• TPSA: 223.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	999.39
LogP ≤ 5	8.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate?

The IUPAC name of 5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate (CID 162158012) is 5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate.

What is the SMILES notation for 5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate?

The canonical SMILES for 5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(C#N)nc4)c3n2)C1.N#Cc1ccc(-c2cnn3c(N)cc(C4CCCNC4)nc23)cn1.

What is the InChIKey of 5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate?

The InChIKey is ZMBYIBYPDLWOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H53N7O4Si2.C17H17N7/c1-34(2,3)45-33(42)39-14-10-11-27(23-39)30-19-31(40(24-43-15-17-46(4,5)6)25-44-16-18-47(7,8)9)41-32(38-30)29(22-37-41)26-12-13-28(20-35)36-21-26;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/h12-13,19,21-22,27H,10-11,14-18,23-25H2,1-9H3;3-4,6,9-10,12,20H,1-2,5,8,19H2.

What are the key properties of 5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate?

5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate has a molecular weight of 999.39 g/mol, XLogP of 8.92, 15 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-cyano-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 162158012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).