N-[1-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-(3-methylidene-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propan-2-yl]acetamide

C26H32FN5O2 — CID 89164149

About N-[1-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-(3-methylidene-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propan-2-yl]acetamide

N-[1-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-(3-methylidene-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propan-2-yl]acetamide (PubChem CID 89164149) has the molecular formula C26H32FN5O2 and a molecular weight of 465.57 g/mol. Its IUPAC name is N-[1-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-(3-methylidene-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-(3-methylidene-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propan-2-yl]acetamide
• PubChem CID: 89164149
• Molecular Formula: C26H32FN5O2
• Molecular Weight: 465.57 g/mol
• Exact Mass: 465.25
• IUPAC Name: N-[1-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-(3-methylidene-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propan-2-yl]acetamide
• SMILES: C=C1N(CC(CN2C3CCC2CC(OCc2ccccc2F)C3)NC(C)=O)N=C2C=CC=CN12
• InChI: InChI=1S/C26H32FN5O2/c1-18(33)28-21(16-32-19(2)30-12-6-5-9-26(30)29-32)15-31-22-10-11-23(31)14-24(13-22)34-17-20-7-3-4-8-25(20)27/h3-9,12,21-24H,2,10-11,13-17H2,1H3,(H,28,33)
• InChIKey: BZNDNTKWOHNQDB-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 60.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.57
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-(3-methylidene-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propan-2-yl]acetamide?

The IUPAC name of N-[1-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-(3-methylidene-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propan-2-yl]acetamide (CID 89164149) is N-[1-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-(3-methylidene-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propan-2-yl]acetamide.

What is the SMILES notation for N-[1-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-(3-methylidene-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propan-2-yl]acetamide?

The canonical SMILES for N-[1-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-(3-methylidene-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propan-2-yl]acetamide is C=C1N(CC(CN2C3CCC2CC(OCc2ccccc2F)C3)NC(C)=O)N=C2C=CC=CN12.

What is the InChIKey of N-[1-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-(3-methylidene-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propan-2-yl]acetamide?

The InChIKey is BZNDNTKWOHNQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O2/c1-18(33)28-21(16-32-19(2)30-12-6-5-9-26(30)29-32)15-31-22-10-11-23(31)14-24(13-22)34-17-20-7-3-4-8-25(20)27/h3-9,12,21-24H,2,10-11,13-17H2,1H3,(H,28,33).

What are the key properties of N-[1-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-(3-methylidene-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propan-2-yl]acetamide?

N-[1-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-(3-methylidene-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propan-2-yl]acetamide has a molecular weight of 465.57 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-(3-methylidene-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propan-2-yl]acetamide is sourced from PubChem (CID 89164149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).