6-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-4-[6-(4-ethyl-4-pyrimidin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

C34H36N10O2 — CID 162725621

About 6-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-4-[6-(4-ethyl-4-pyrimidin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

6-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-4-[6-(4-ethyl-4-pyrimidin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 162725621) has the molecular formula C34H36N10O2 and a molecular weight of 616.73 g/mol. Its IUPAC name is 6-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-4-[6-(4-ethyl-4-pyrimidin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-4-[6-(4-ethyl-4-pyrimidin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
• PubChem CID: 162725621
• Molecular Formula: C34H36N10O2
• Molecular Weight: 616.73 g/mol
• Exact Mass: 616.30
• IUPAC Name: 6-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-4-[6-(4-ethyl-4-pyrimidin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
• SMILES: CCC1(c2ncccn2)CCN(c2ccc(-c3nc(-c4cnn(C5CCC6(CC5)OCCO6)c4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C34H36N10O2/c1-2-33(32-36-12-3-13-37-32)10-14-42(15-11-33)29-5-4-24(19-38-29)30-31-25(18-35)20-40-44(31)23-28(41-30)26-21-39-43(22-26)27-6-8-34(9-7-27)45-16-17-46-34/h3-5,12-13,19-23,27H,2,6-11,14-17H2,1H3
• InChIKey: MXWYFLFNYAQJDD-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 132.17 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	616.73
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-4-[6-(4-ethyl-4-pyrimidin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The IUPAC name of 6-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-4-[6-(4-ethyl-4-pyrimidin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 162725621) is 6-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-4-[6-(4-ethyl-4-pyrimidin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

What is the SMILES notation for 6-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-4-[6-(4-ethyl-4-pyrimidin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The canonical SMILES for 6-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-4-[6-(4-ethyl-4-pyrimidin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is CCC1(c2ncccn2)CCN(c2ccc(-c3nc(-c4cnn(C5CCC6(CC5)OCCO6)c4)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of 6-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-4-[6-(4-ethyl-4-pyrimidin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The InChIKey is MXWYFLFNYAQJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N10O2/c1-2-33(32-36-12-3-13-37-32)10-14-42(15-11-33)29-5-4-24(19-38-29)30-31-25(18-35)20-40-44(31)23-28(41-30)26-21-39-43(22-26)27-6-8-34(9-7-27)45-16-17-46-34/h3-5,12-13,19-23,27H,2,6-11,14-17H2,1H3.

What are the key properties of 6-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-4-[6-(4-ethyl-4-pyrimidin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

6-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-4-[6-(4-ethyl-4-pyrimidin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 616.73 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]-4-[6-(4-ethyl-4-pyrimidin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 162725621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).