propan-2-yl 4-[3-(2-propan-2-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate

C22H28N6O3 — CID 71744766

About propan-2-yl 4-[3-(2-propan-2-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate

propan-2-yl 4-[3-(2-propan-2-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate (PubChem CID 71744766) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is propan-2-yl 4-[3-(2-propan-2-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl 4-[3-(2-propan-2-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
• PubChem CID: 71744766
• Molecular Formula: C22H28N6O3
• Molecular Weight: 424.51 g/mol
• Exact Mass: 424.22
• IUPAC Name: propan-2-yl 4-[3-(2-propan-2-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
• SMILES: CC(C)OC(=O)N1CCN(c2ccn3ncc(-c4cccnc4OC(C)C)c3n2)CC1
• InChI: InChI=1S/C22H28N6O3/c1-15(2)30-21-17(6-5-8-23-21)18-14-24-28-9-7-19(25-20(18)28)26-10-12-27(13-11-26)22(29)31-16(3)4/h5-9,14-16H,10-13H2,1-4H3
• InChIKey: SBGDLIPDDDCCFR-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 85.09 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.51
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[3-(2-propan-2-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate?

The IUPAC name of propan-2-yl 4-[3-(2-propan-2-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate (CID 71744766) is propan-2-yl 4-[3-(2-propan-2-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate.

What is the SMILES notation for propan-2-yl 4-[3-(2-propan-2-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate?

The canonical SMILES for propan-2-yl 4-[3-(2-propan-2-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate is CC(C)OC(=O)N1CCN(c2ccn3ncc(-c4cccnc4OC(C)C)c3n2)CC1.

What is the InChIKey of propan-2-yl 4-[3-(2-propan-2-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate?

The InChIKey is SBGDLIPDDDCCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-15(2)30-21-17(6-5-8-23-21)18-14-24-28-9-7-19(25-20(18)28)26-10-12-27(13-11-26)22(29)31-16(3)4/h5-9,14-16H,10-13H2,1-4H3.

What are the key properties of propan-2-yl 4-[3-(2-propan-2-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate?

propan-2-yl 4-[3-(2-propan-2-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate has a molecular weight of 424.51 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 4-[3-(2-propan-2-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate is sourced from PubChem (CID 71744766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).