2-[(2Z)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[(2E)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C69H77F3N14O9 — CID 161432367

About 2-[(2Z)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[(2E)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[(2Z)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[(2E)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 161432367) has the molecular formula C69H77F3N14O9 and a molecular weight of 1303.46 g/mol. Its IUPAC name is 2-[(2Z)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[(2E)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

• Compound Name: 2-[(2Z)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[(2E)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
• PubChem CID: 161432367
• Molecular Formula: C69H77F3N14O9
• Molecular Weight: 1303.46 g/mol
• Exact Mass: 1302.60
• IUPAC Name: 2-[(2Z)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[(2E)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
• SMILES: O=C(CN1C2CCC1CC(OCc1ccccc1F)C2)Cn1nc2ccccn2c1=O.O=c1n(C/C(CN2C3CCC2CC(OCc2ccccc2F)C3)=N/O)nc2ccccn12.O=c1n(C/C(CN2C3CCC2CC(OCc2ccccc2F)C3)=N\O)nc2ccccn12
• InChI: InChI=1S/2C23H26FN5O3.C23H25FN4O3/c2*24-21-6-2-1-5-16(21)15-32-20-11-18-8-9-19(12-20)28(18)13-17(26-31)14-29-23(30)27-10-4-3-7-22(27)25-29;24-21-6-2-1-5-16(21)15-31-20-11-17-8-9-18(12-20)27(17)13-19(29)14-28-23(30)26-10-4-3-7-22(26)25-28/h2*1-7,10,18-20,31H,8-9,11-15H2;1-7,10,17-18,20H,8-9,11-15H2/b26-17+;26-17-
• InChIKey: VYEPEXZSUMZEAO-YOEJPSRPSA-N
• XLogP: 7.77
• TPSA: 237.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1303.46
LogP ≤ 5	7.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[(2E)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?

The IUPAC name of 2-[(2Z)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[(2E)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 161432367) is 2-[(2Z)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[(2E)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

What is the SMILES notation for 2-[(2Z)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[(2E)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?

The canonical SMILES for 2-[(2Z)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[(2E)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=C(CN1C2CCC1CC(OCc1ccccc1F)C2)Cn1nc2ccccn2c1=O.O=c1n(C/C(CN2C3CCC2CC(OCc2ccccc2F)C3)=N/O)nc2ccccn12.O=c1n(C/C(CN2C3CCC2CC(OCc2ccccc2F)C3)=N\O)nc2ccccn12.

What is the InChIKey of 2-[(2Z)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[(2E)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?

The InChIKey is VYEPEXZSUMZEAO-YOEJPSRPSA-N. The full InChI is InChI=1S/2C23H26FN5O3.C23H25FN4O3/c2*24-21-6-2-1-5-16(21)15-32-20-11-18-8-9-19(12-20)28(18)13-17(26-31)14-29-23(30)27-10-4-3-7-22(27)25-29;24-21-6-2-1-5-16(21)15-31-20-11-17-8-9-18(12-20)27(17)13-19(29)14-28-23(30)26-10-4-3-7-22(26)25-28/h2*1-7,10,18-20,31H,8-9,11-15H2;1-7,10,17-18,20H,8-9,11-15H2/b26-17+;26-17-;.

What are the key properties of 2-[(2Z)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[(2E)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?

2-[(2Z)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[(2E)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 1303.46 g/mol, XLogP of 7.77, 21 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2Z)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[(2E)-3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxyiminopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 161432367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).