7-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane

C28H34N8O — CID 170062889

About 7-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane

7-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane (PubChem CID 170062889) has the molecular formula C28H34N8O and a molecular weight of 498.64 g/mol. Its IUPAC name is 7-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane.

Molecular Properties

• Compound Name: 7-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane
• PubChem CID: 170062889
• Molecular Formula: C28H34N8O
• Molecular Weight: 498.64 g/mol
• Exact Mass: 498.29
• IUPAC Name: 7-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane
• SMILES: CCN1CCC(n2cc(-c3c[nH]c4ncc(-c5cnc(N6CCOC7(CC7)C6)c(C)c5)nc34)cn2)CC1
• InChI: InChI=1S/C28H34N8O/c1-3-34-8-4-22(5-9-34)36-17-21(14-32-36)23-15-29-26-25(23)33-24(16-30-26)20-12-19(2)27(31-13-20)35-10-11-37-28(18-35)6-7-28/h12-17,22H,3-11,18H2,1-2H3,(H,29,30)
• InChIKey: AEMFRKSRVFCFFT-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 87.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.64
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane?

The IUPAC name of 7-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane (CID 170062889) is 7-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane.

What is the SMILES notation for 7-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane?

The canonical SMILES for 7-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane is CCN1CCC(n2cc(-c3c[nH]c4ncc(-c5cnc(N6CCOC7(CC7)C6)c(C)c5)nc34)cn2)CC1.

What is the InChIKey of 7-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane?

The InChIKey is AEMFRKSRVFCFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8O/c1-3-34-8-4-22(5-9-34)36-17-21(14-32-36)23-15-29-26-25(23)33-24(16-30-26)20-12-19(2)27(31-13-20)35-10-11-37-28(18-35)6-7-28/h12-17,22H,3-11,18H2,1-2H3,(H,29,30).

What are the key properties of 7-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane?

7-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane has a molecular weight of 498.64 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane is sourced from PubChem (CID 170062889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).