6-(2-hydroxy-2-methylbut-3-ynoxy)-4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H24N6O4 — CID 162374026

About 6-(2-hydroxy-2-methylbut-3-ynoxy)-4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(2-hydroxy-2-methylbut-3-ynoxy)-4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 162374026) has the molecular formula C27H24N6O4 and a molecular weight of 496.53 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylbut-3-ynoxy)-4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(2-hydroxy-2-methylbut-3-ynoxy)-4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 162374026
• Molecular Formula: C27H24N6O4
• Molecular Weight: 496.53 g/mol
• Exact Mass: 496.19
• IUPAC Name: 6-(2-hydroxy-2-methylbut-3-ynoxy)-4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C#CC(C)(O)COc1cc(-c2ccc(N3CC(Oc4ccc(OC)nc4)C3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C27H24N6O4/c1-4-27(2,34)17-36-21-9-23(26-19(10-28)12-31-33(26)16-21)18-5-7-24(29-11-18)32-14-22(15-32)37-20-6-8-25(35-3)30-13-20/h1,5-9,11-13,16,22,34H,14-15,17H2,2-3H3
• InChIKey: BXKUKIVPHMVXFZ-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 118.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.53
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-2-methylbut-3-ynoxy)-4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(2-hydroxy-2-methylbut-3-ynoxy)-4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 162374026) is 6-(2-hydroxy-2-methylbut-3-ynoxy)-4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-(2-hydroxy-2-methylbut-3-ynoxy)-4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(2-hydroxy-2-methylbut-3-ynoxy)-4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C#CC(C)(O)COc1cc(-c2ccc(N3CC(Oc4ccc(OC)nc4)C3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of 6-(2-hydroxy-2-methylbut-3-ynoxy)-4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is BXKUKIVPHMVXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O4/c1-4-27(2,34)17-36-21-9-23(26-19(10-28)12-31-33(26)16-21)18-5-7-24(29-11-18)32-14-22(15-32)37-20-6-8-25(35-3)30-13-20/h1,5-9,11-13,16,22,34H,14-15,17H2,2-3H3.

What are the key properties of 6-(2-hydroxy-2-methylbut-3-ynoxy)-4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-(2-hydroxy-2-methylbut-3-ynoxy)-4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 496.53 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-hydroxy-2-methylbut-3-ynoxy)-4-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 162374026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).