5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-(pyrazin-2-ylmethyl)bicyclo[3.2.2]nonane-1-carboxamide

C27H29N5O2 — CID 145402176

About 5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-(pyrazin-2-ylmethyl)bicyclo[3.2.2]nonane-1-carboxamide

5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-(pyrazin-2-ylmethyl)bicyclo[3.2.2]nonane-1-carboxamide (PubChem CID 145402176) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-(pyrazin-2-ylmethyl)bicyclo[3.2.2]nonane-1-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-(pyrazin-2-ylmethyl)bicyclo[3.2.2]nonane-1-carboxamide
• PubChem CID: 145402176
• Molecular Formula: C27H29N5O2
• Molecular Weight: 455.56 g/mol
• Exact Mass: 455.23
• IUPAC Name: 5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-(pyrazin-2-ylmethyl)bicyclo[3.2.2]nonane-1-carboxamide
• SMILES: O=C(CC1c2ccccc2-c2cncn21)C12CCCC(C(=O)NCc3cnccn3)(CC1)CC2
• InChI: InChI=1S/C27H29N5O2/c33-24(14-22-20-4-1-2-5-21(20)23-17-29-18-32(22)23)26-6-3-7-27(10-8-26,11-9-26)25(34)31-16-19-15-28-12-13-30-19/h1-2,4-5,12-13,15,17-18,22H,3,6-11,14,16H2,(H,31,34)
• InChIKey: NWVBVUHZVVUMMB-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 89.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.56
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-(pyrazin-2-ylmethyl)bicyclo[3.2.2]nonane-1-carboxamide?

The IUPAC name of 5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-(pyrazin-2-ylmethyl)bicyclo[3.2.2]nonane-1-carboxamide (CID 145402176) is 5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-(pyrazin-2-ylmethyl)bicyclo[3.2.2]nonane-1-carboxamide.

What is the SMILES notation for 5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-(pyrazin-2-ylmethyl)bicyclo[3.2.2]nonane-1-carboxamide?

The canonical SMILES for 5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-(pyrazin-2-ylmethyl)bicyclo[3.2.2]nonane-1-carboxamide is O=C(CC1c2ccccc2-c2cncn21)C12CCCC(C(=O)NCc3cnccn3)(CC1)CC2.

What is the InChIKey of 5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-(pyrazin-2-ylmethyl)bicyclo[3.2.2]nonane-1-carboxamide?

The InChIKey is NWVBVUHZVVUMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c33-24(14-22-20-4-1-2-5-21(20)23-17-29-18-32(22)23)26-6-3-7-27(10-8-26,11-9-26)25(34)31-16-19-15-28-12-13-30-19/h1-2,4-5,12-13,15,17-18,22H,3,6-11,14,16H2,(H,31,34).

What are the key properties of 5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-(pyrazin-2-ylmethyl)bicyclo[3.2.2]nonane-1-carboxamide?

5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-(pyrazin-2-ylmethyl)bicyclo[3.2.2]nonane-1-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-(pyrazin-2-ylmethyl)bicyclo[3.2.2]nonane-1-carboxamide is sourced from PubChem (CID 145402176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).