N-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetamide;hydrochloride

C13H16ClN5O2 — CID 170351652

About N-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetamide;hydrochloride

N-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetamide;hydrochloride (PubChem CID 170351652) has the molecular formula C13H16ClN5O2 and a molecular weight of 309.76 g/mol. Its IUPAC name is N-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: N-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetamide;hydrochloride
• PubChem CID: 170351652
• Molecular Formula: C13H16ClN5O2
• Molecular Weight: 309.76 g/mol
• Exact Mass: 309.10
• IUPAC Name: N-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetamide;hydrochloride
• SMILES: CC(=O)Nc1cc2[nH]nc(N3CC4CC3CO4)c2cn1.Cl
• InChI: InChI=1S/C13H15N5O2.ClH/c1-7(19)15-12-3-11-10(4-14-12)13(17-16-11)18-5-9-2-8(18)6-20-9;/h3-4,8-9H,2,5-6H2,1H3,(H,16,17)(H,14,15,19);1H
• InChIKey: CKPBWNKOYUIJHG-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.76
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetamide;hydrochloride?

The IUPAC name of N-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetamide;hydrochloride (CID 170351652) is N-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetamide;hydrochloride.

What is the SMILES notation for N-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetamide;hydrochloride?

The canonical SMILES for N-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetamide;hydrochloride is CC(=O)Nc1cc2[nH]nc(N3CC4CC3CO4)c2cn1.Cl.

What is the InChIKey of N-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetamide;hydrochloride?

The InChIKey is CKPBWNKOYUIJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2.ClH/c1-7(19)15-12-3-11-10(4-14-12)13(17-16-11)18-5-9-2-8(18)6-20-9;/h3-4,8-9H,2,5-6H2,1H3,(H,16,17)(H,14,15,19);1H.

What are the key properties of N-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetamide;hydrochloride?

N-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetamide;hydrochloride has a molecular weight of 309.76 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetamide;hydrochloride is sourced from PubChem (CID 170351652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).