6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H30N8O2 — CID 134435233

About 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435233) has the molecular formula C27H30N8O2 and a molecular weight of 498.59 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 134435233
• Molecular Formula: C27H30N8O2
• Molecular Weight: 498.59 g/mol
• Exact Mass: 498.25
• IUPAC Name: 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cc1cnc(NC2CCN(c3ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn3)CC2)nc1
• InChI: InChI=1S/C27H30N8O2/c1-18-12-30-26(31-13-18)33-21-6-8-34(9-7-21)24-5-4-19(14-29-24)23-10-22(37-17-27(2,3)36)16-35-25(23)20(11-28)15-32-35/h4-5,10,12-16,21,36H,6-9,17H2,1-3H3,(H,30,31,33)
• InChIKey: IIGSXNPRLMRSPA-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 124.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.59
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435233) is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1cnc(NC2CCN(c3ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn3)CC2)nc1.

What is the InChIKey of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is IIGSXNPRLMRSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O2/c1-18-12-30-26(31-13-18)33-21-6-8-34(9-7-21)24-5-4-19(14-29-24)23-10-22(37-17-27(2,3)36)16-35-25(23)20(11-28)15-32-35/h4-5,10,12-16,21,36H,6-9,17H2,1-3H3,(H,30,31,33).

What are the key properties of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 498.59 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).