3-but-3-yn-2-yl-6-methoxy-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine

C29H30N6O2 — CID 163420494

About 3-but-3-yn-2-yl-6-methoxy-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine

3-but-3-yn-2-yl-6-methoxy-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine (PubChem CID 163420494) has the molecular formula C29H30N6O2 and a molecular weight of 494.60 g/mol. Its IUPAC name is 3-but-3-yn-2-yl-6-methoxy-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 3-but-3-yn-2-yl-6-methoxy-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine
• PubChem CID: 163420494
• Molecular Formula: C29H30N6O2
• Molecular Weight: 494.60 g/mol
• Exact Mass: 494.24
• IUPAC Name: 3-but-3-yn-2-yl-6-methoxy-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine
• SMILES: C#CC(C)c1cnn2cc(OC)cc(-c3ccc(N4CC5CC(C4)N5Cc4ccc(OC)nc4)nc3)c12
• InChI: InChI=1S/C29H30N6O2/c1-5-19(2)26-14-32-35-18-24(36-3)11-25(29(26)35)21-7-8-27(30-13-21)33-16-22-10-23(17-33)34(22)15-20-6-9-28(37-4)31-12-20/h1,6-9,11-14,18-19,22-23H,10,15-17H2,2-4H3
• InChIKey: AIALIHRYAKPTJR-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 68.02 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.60
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-but-3-yn-2-yl-6-methoxy-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine?

The IUPAC name of 3-but-3-yn-2-yl-6-methoxy-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine (CID 163420494) is 3-but-3-yn-2-yl-6-methoxy-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine.

What is the SMILES notation for 3-but-3-yn-2-yl-6-methoxy-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine?

The canonical SMILES for 3-but-3-yn-2-yl-6-methoxy-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine is C#CC(C)c1cnn2cc(OC)cc(-c3ccc(N4CC5CC(C4)N5Cc4ccc(OC)nc4)nc3)c12.

What is the InChIKey of 3-but-3-yn-2-yl-6-methoxy-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine?

The InChIKey is AIALIHRYAKPTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2/c1-5-19(2)26-14-32-35-18-24(36-3)11-25(29(26)35)21-7-8-27(30-13-21)33-16-22-10-23(17-33)34(22)15-20-6-9-28(37-4)31-12-20/h1,6-9,11-14,18-19,22-23H,10,15-17H2,2-4H3.

What are the key properties of 3-but-3-yn-2-yl-6-methoxy-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine?

3-but-3-yn-2-yl-6-methoxy-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine has a molecular weight of 494.60 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-but-3-yn-2-yl-6-methoxy-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 163420494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).