tert-butyl 3-(7-methoxy-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;5-cyclohexyl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C37H44N12O3 — CID 158161650

About tert-butyl 3-(7-methoxy-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;5-cyclohexyl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

tert-butyl 3-(7-methoxy-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;5-cyclohexyl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158161650) has the molecular formula C37H44N12O3 and a molecular weight of 704.84 g/mol. Its IUPAC name is tert-butyl 3-(7-methoxy-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;5-cyclohexyl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: tert-butyl 3-(7-methoxy-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;5-cyclohexyl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158161650
• Molecular Formula: C37H44N12O3
• Molecular Weight: 704.84 g/mol
• Exact Mass: 704.37
• IUPAC Name: tert-butyl 3-(7-methoxy-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;5-cyclohexyl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: COc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)nc2c(-c3cnccn3)cnn12.Nc1cc(C2CCCCC2)nc2c(-c3cnccn3)cnn12
• InChI: InChI=1S/C21H26N6O3.C16H18N6/c1-21(2,3)30-20(28)26-9-5-6-14(13-26)16-10-18(29-4)27-19(25-16)15(11-24-27)17-12-22-7-8-23-17;17-15-8-13(11-4-2-1-3-5-11)21-16-12(9-20-22(15)16)14-10-18-6-7-19-14/h7-8,10-12,14H,5-6,9,13H2,1-4H3;6-11H,1-5,17H2
• InChIKey: FWIOVEWZLVHTNY-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 176.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	704.84
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(7-methoxy-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;5-cyclohexyl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of tert-butyl 3-(7-methoxy-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;5-cyclohexyl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158161650) is tert-butyl 3-(7-methoxy-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;5-cyclohexyl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for tert-butyl 3-(7-methoxy-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;5-cyclohexyl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for tert-butyl 3-(7-methoxy-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;5-cyclohexyl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is COc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)nc2c(-c3cnccn3)cnn12.Nc1cc(C2CCCCC2)nc2c(-c3cnccn3)cnn12.

What is the InChIKey of tert-butyl 3-(7-methoxy-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;5-cyclohexyl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is FWIOVEWZLVHTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3.C16H18N6/c1-21(2,3)30-20(28)26-9-5-6-14(13-26)16-10-18(29-4)27-19(25-16)15(11-24-27)17-12-22-7-8-23-17;17-15-8-13(11-4-2-1-3-5-11)21-16-12(9-20-22(15)16)14-10-18-6-7-19-14/h7-8,10-12,14H,5-6,9,13H2,1-4H3;6-11H,1-5,17H2.

What are the key properties of tert-butyl 3-(7-methoxy-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;5-cyclohexyl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?

tert-butyl 3-(7-methoxy-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;5-cyclohexyl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 704.84 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-(7-methoxy-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;5-cyclohexyl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158161650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).