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

C26H27N7O4 — CID 134435128

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

6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-(2-methoxypyrimidin-5-yl)oxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435128) has the molecular formula C26H27N7O4 and a molecular weight of 501.55 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-(2-methoxypyrimidin-5-yl)oxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-(2-methoxypyrimidin-5-yl)oxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 134435128
• Molecular Formula: C26H27N7O4
• Molecular Weight: 501.55 g/mol
• Exact Mass: 501.21
• IUPAC Name: 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-(2-methoxypyrimidin-5-yl)oxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ncc(OC2CCN(c3ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn3)C2)cn1
• InChI: InChI=1S/C26H27N7O4/c1-26(2,34)16-36-20-8-22(24-18(9-27)11-31-33(24)15-20)17-4-5-23(28-10-17)32-7-6-19(14-32)37-21-12-29-25(35-3)30-13-21/h4-5,8,10-13,15,19,34H,6-7,14,16H2,1-3H3
• InChIKey: ZSVKZHJGPBNIFE-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 130.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.55
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-(2-methoxypyrimidin-5-yl)oxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435128) is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-(2-methoxypyrimidin-5-yl)oxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

The canonical SMILES for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-(2-methoxypyrimidin-5-yl)oxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ncc(OC2CCN(c3ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn3)C2)cn1.

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

The InChIKey is ZSVKZHJGPBNIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O4/c1-26(2,34)16-36-20-8-22(24-18(9-27)11-31-33(24)15-20)17-4-5-23(28-10-17)32-7-6-19(14-32)37-21-12-29-25(35-3)30-13-21/h4-5,8,10-13,15,19,34H,6-7,14,16H2,1-3H3.

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

6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-(2-methoxypyrimidin-5-yl)oxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 501.55 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-(2-methoxypyrimidin-5-yl)oxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).