tert-butyl (3R)-3-[5-fluoro-6-(2-hydroxyethoxy)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate

C23H28FN5O5 — CID 140877082

About tert-butyl (3R)-3-[5-fluoro-6-(2-hydroxyethoxy)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate

tert-butyl (3R)-3-[5-fluoro-6-(2-hydroxyethoxy)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 140877082) has the molecular formula C23H28FN5O5 and a molecular weight of 473.51 g/mol. Its IUPAC name is tert-butyl (3R)-3-[5-fluoro-6-(2-hydroxyethoxy)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (3R)-3-[5-fluoro-6-(2-hydroxyethoxy)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
• PubChem CID: 140877082
• Molecular Formula: C23H28FN5O5
• Molecular Weight: 473.51 g/mol
• Exact Mass: 473.21
• IUPAC Name: tert-butyl (3R)-3-[5-fluoro-6-(2-hydroxyethoxy)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](Oc2nc(-c3cnn4ccccc34)nc(OCCO)c2F)C1
• InChI: InChI=1S/C23H28FN5O5/c1-23(2,3)34-22(31)28-9-6-7-15(14-28)33-21-18(24)20(32-12-11-30)26-19(27-21)16-13-25-29-10-5-4-8-17(16)29/h4-5,8,10,13,15,30H,6-7,9,11-12,14H2,1-3H3/t15-/m1/s1
• InChIKey: XWFVXNLIJCFWQL-OAHLLOKOSA-N
• XLogP: 3.08
• TPSA: 111.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.51
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[5-fluoro-6-(2-hydroxyethoxy)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate?

The IUPAC name of tert-butyl (3R)-3-[5-fluoro-6-(2-hydroxyethoxy)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 140877082) is tert-butyl (3R)-3-[5-fluoro-6-(2-hydroxyethoxy)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate.

What is the SMILES notation for tert-butyl (3R)-3-[5-fluoro-6-(2-hydroxyethoxy)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate?

The canonical SMILES for tert-butyl (3R)-3-[5-fluoro-6-(2-hydroxyethoxy)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](Oc2nc(-c3cnn4ccccc34)nc(OCCO)c2F)C1.

What is the InChIKey of tert-butyl (3R)-3-[5-fluoro-6-(2-hydroxyethoxy)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate?

The InChIKey is XWFVXNLIJCFWQL-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H28FN5O5/c1-23(2,3)34-22(31)28-9-6-7-15(14-28)33-21-18(24)20(32-12-11-30)26-19(27-21)16-13-25-29-10-5-4-8-17(16)29/h4-5,8,10,13,15,30H,6-7,9,11-12,14H2,1-3H3/t15-/m1/s1.

What are the key properties of tert-butyl (3R)-3-[5-fluoro-6-(2-hydroxyethoxy)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate?

tert-butyl (3R)-3-[5-fluoro-6-(2-hydroxyethoxy)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 473.51 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R)-3-[5-fluoro-6-(2-hydroxyethoxy)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 140877082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).