6-(2-aminoethoxy)-4-[6-[4-[(6-ethynyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H25N7O2 — CID 146667791

About 6-(2-aminoethoxy)-4-[6-[4-[(6-ethynyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(2-aminoethoxy)-4-[6-[4-[(6-ethynyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146667791) has the molecular formula C27H25N7O2 and a molecular weight of 479.54 g/mol. Its IUPAC name is 6-(2-aminoethoxy)-4-[6-[4-[(6-ethynyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(2-aminoethoxy)-4-[6-[4-[(6-ethynyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 146667791
• Molecular Formula: C27H25N7O2
• Molecular Weight: 479.54 g/mol
• Exact Mass: 479.21
• IUPAC Name: 6-(2-aminoethoxy)-4-[6-[4-[(6-ethynyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C#Cc1ccc(OC2CCN(c3ccc(-c4cc(OCCN)cn5ncc(C#N)c45)cn3)CC2)cn1
• InChI: InChI=1S/C27H25N7O2/c1-2-21-4-5-23(17-30-21)36-22-7-10-33(11-8-22)26-6-3-19(15-31-26)25-13-24(35-12-9-28)18-34-27(25)20(14-29)16-32-34/h1,3-6,13,15-18,22H,7-12,28H2
• InChIKey: HCQVLORJJPEBDU-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 114.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.54
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethoxy)-4-[6-[4-[(6-ethynyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(2-aminoethoxy)-4-[6-[4-[(6-ethynyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146667791) is 6-(2-aminoethoxy)-4-[6-[4-[(6-ethynyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-(2-aminoethoxy)-4-[6-[4-[(6-ethynyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(2-aminoethoxy)-4-[6-[4-[(6-ethynyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C#Cc1ccc(OC2CCN(c3ccc(-c4cc(OCCN)cn5ncc(C#N)c45)cn3)CC2)cn1.

What is the InChIKey of 6-(2-aminoethoxy)-4-[6-[4-[(6-ethynyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is HCQVLORJJPEBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O2/c1-2-21-4-5-23(17-30-21)36-22-7-10-33(11-8-22)26-6-3-19(15-31-26)25-13-24(35-12-9-28)18-34-27(25)20(14-29)16-32-34/h1,3-6,13,15-18,22H,7-12,28H2.

What are the key properties of 6-(2-aminoethoxy)-4-[6-[4-[(6-ethynyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-(2-aminoethoxy)-4-[6-[4-[(6-ethynyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 479.54 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-aminoethoxy)-4-[6-[4-[(6-ethynyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146667791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).