9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyrazin-3-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate

C29H28N4O3 — CID 171959733

About 9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyrazin-3-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate

9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyrazin-3-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate (PubChem CID 171959733) has the molecular formula C29H28N4O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyrazin-3-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyrazin-3-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate
• PubChem CID: 171959733
• Molecular Formula: C29H28N4O3
• Molecular Weight: 480.57 g/mol
• Exact Mass: 480.22
• IUPAC Name: 9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyrazin-3-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate
• SMILES: O=C(OCC1c2ccccc2-c2ccccc21)N1C2CCCC1CC(O)(c1cnc3cnccn13)C2
• InChI: InChI=1S/C29H28N4O3/c34-28(36-18-25-23-10-3-1-8-21(23)22-9-2-4-11-24(22)25)33-19-6-5-7-20(33)15-29(35,14-19)26-16-31-27-17-30-12-13-32(26)27/h1-4,8-13,16-17,19-20,25,35H,5-7,14-15,18H2
• InChIKey: AMCKTYJQHGMEAH-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 79.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.57
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyrazin-3-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate?

The IUPAC name of 9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyrazin-3-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate (CID 171959733) is 9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyrazin-3-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyrazin-3-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate?

The canonical SMILES for 9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyrazin-3-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate is O=C(OCC1c2ccccc2-c2ccccc21)N1C2CCCC1CC(O)(c1cnc3cnccn13)C2.

What is the InChIKey of 9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyrazin-3-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate?

The InChIKey is AMCKTYJQHGMEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O3/c34-28(36-18-25-23-10-3-1-8-21(23)22-9-2-4-11-24(22)25)33-19-6-5-7-20(33)15-29(35,14-19)26-16-31-27-17-30-12-13-32(26)27/h1-4,8-13,16-17,19-20,25,35H,5-7,14-15,18H2.

What are the key properties of 9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyrazin-3-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate?

9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyrazin-3-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate has a molecular weight of 480.57 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyrazin-3-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate is sourced from PubChem (CID 171959733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).