N-[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide

C18H23N5O3 — CID 170351720

About N-[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170351720) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
• PubChem CID: 170351720
• Molecular Formula: C18H23N5O3
• Molecular Weight: 357.41 g/mol
• Exact Mass: 357.18
• IUPAC Name: N-[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
• SMILES: CC(=O)Nc1cc2c(cn1)c(N1CC3CC(C1)O3)nn2C1CCCCO1
• InChI: InChI=1S/C18H23N5O3/c1-11(24)20-16-7-15-14(8-19-16)18(22-9-12-6-13(10-22)26-12)21-23(15)17-4-2-3-5-25-17/h7-8,12-13,17H,2-6,9-10H2,1H3,(H,19,20,24)
• InChIKey: CDCKHCMDALCUOC-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 81.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.41
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?

The IUPAC name of N-[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170351720) is N-[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide.

What is the SMILES notation for N-[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?

The canonical SMILES for N-[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)c(N1CC3CC(C1)O3)nn2C1CCCCO1.

What is the InChIKey of N-[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?

The InChIKey is CDCKHCMDALCUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-11(24)20-16-7-15-14(8-19-16)18(22-9-12-6-13(10-22)26-12)21-23(15)17-4-2-3-5-25-17/h7-8,12-13,17H,2-6,9-10H2,1H3,(H,19,20,24).

What are the key properties of N-[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?

N-[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170351720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).