4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid

C19H25N3O2 — CID 82212445

About 4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid

4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 82212445) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
• PubChem CID: 82212445
• Molecular Formula: C19H25N3O2
• Molecular Weight: 327.43 g/mol
• Exact Mass: 327.19
• IUPAC Name: 4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
• SMILES: CC1(C)CC2CC(C)(CN2Cc2cccn3ncc(C(=O)O)c23)C1
• InChI: InChI=1S/C19H25N3O2/c1-18(2)7-14-8-19(3,11-18)12-21(14)10-13-5-4-6-22-16(13)15(9-20-22)17(23)24/h4-6,9,14H,7-8,10-12H2,1-3H3,(H,23,24)
• InChIKey: ZEHFWWZHIWYNCO-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 57.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.43
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?

The IUPAC name of 4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 82212445) is 4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.

What is the SMILES notation for 4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?

The canonical SMILES for 4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is CC1(C)CC2CC(C)(CN2Cc2cccn3ncc(C(=O)O)c23)C1.

What is the InChIKey of 4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?

The InChIKey is ZEHFWWZHIWYNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-18(2)7-14-8-19(3,11-18)12-21(14)10-13-5-4-6-22-16(13)15(9-20-22)17(23)24/h4-6,9,14H,7-8,10-12H2,1-3H3,(H,23,24).

What are the key properties of 4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?

4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 327.43 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 82212445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).