4-[6-(1,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C25H26N8 — CID 126740258

About 4-[6-(1,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-(1,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740258) has the molecular formula C25H26N8 and a molecular weight of 438.54 g/mol. Its IUPAC name is 4-[6-(1,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-(1,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 126740258
• Molecular Formula: C25H26N8
• Molecular Weight: 438.54 g/mol
• Exact Mass: 438.23
• IUPAC Name: 4-[6-(1,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cn1cc(-c2cc(-c3ccc(N4CCCC5(CCCN5)C4)nc3)c3c(C#N)cnn3c2)cn1
• InChI: InChI=1S/C25H26N8/c1-31-15-21(14-29-31)19-10-22(24-20(11-26)13-30-33(24)16-19)18-4-5-23(27-12-18)32-9-3-7-25(17-32)6-2-8-28-25/h4-5,10,12-16,28H,2-3,6-9,17H2,1H3
• InChIKey: XCWPXCFTDKYFAY-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 87.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.54
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-(1,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740258) is 4-[6-(1,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[6-(1,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-(1,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCCC5(CCCN5)C4)nc3)c3c(C#N)cnn3c2)cn1.

What is the InChIKey of 4-[6-(1,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is XCWPXCFTDKYFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8/c1-31-15-21(14-29-31)19-10-22(24-20(11-26)13-30-33(24)16-19)18-4-5-23(27-12-18)32-9-3-7-25(17-32)6-2-8-28-25/h4-5,10,12-16,28H,2-3,6-9,17H2,1H3.

What are the key properties of 4-[6-(1,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[6-(1,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 438.54 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(1,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).