N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide

C26H32N4O3S — CID 98348593

About N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide

N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide (PubChem CID 98348593) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide.

Molecular Properties

• Compound Name: N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide
• PubChem CID: 98348593
• Molecular Formula: C26H32N4O3S
• Molecular Weight: 480.63 g/mol
• Exact Mass: 480.22
• IUPAC Name: N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide
• SMILES: CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2cccc(C(=O)NCCc3cn4ccccc4n3)c2)C1
• InChI: InChI=1S/C26H32N4O3S/c1-25(2)14-21-15-26(3,17-25)18-30(21)34(32,33)22-8-6-7-19(13-22)24(31)27-11-10-20-16-29-12-5-4-9-23(29)28-20/h4-9,12-13,16,21H,10-11,14-15,17-18H2,1-3H3,(H,27,31)/t21-,26+/m0/s1
• InChIKey: XFRSVDXXELBLBK-HFZDXXHNSA-N
• XLogP: 3.90
• TPSA: 83.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.63
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide?

The IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide (CID 98348593) is N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide.

What is the SMILES notation for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide?

The canonical SMILES for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide is CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2cccc(C(=O)NCCc3cn4ccccc4n3)c2)C1.

What is the InChIKey of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide?

The InChIKey is XFRSVDXXELBLBK-HFZDXXHNSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-25(2)14-21-15-26(3,17-25)18-30(21)34(32,33)22-8-6-7-19(13-22)24(31)27-11-10-20-16-29-12-5-4-9-23(29)28-20/h4-9,12-13,16,21H,10-11,14-15,17-18H2,1-3H3,(H,27,31)/t21-,26+/m0/s1.

What are the key properties of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide?

N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide has a molecular weight of 480.63 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide is sourced from PubChem (CID 98348593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).