1-cyclopropyl-N-[3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-5-yl]methanesulfonamide

C24H26N6O5S — CID 146509396

About 1-cyclopropyl-N-[3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-5-yl]methanesulfonamide

1-cyclopropyl-N-[3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-5-yl]methanesulfonamide (PubChem CID 146509396) has the molecular formula C24H26N6O5S and a molecular weight of 510.58 g/mol. Its IUPAC name is 1-cyclopropyl-N-[3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-5-yl]methanesulfonamide.

Molecular Properties

• Compound Name: 1-cyclopropyl-N-[3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-5-yl]methanesulfonamide
• PubChem CID: 146509396
• Molecular Formula: C24H26N6O5S
• Molecular Weight: 510.58 g/mol
• Exact Mass: 510.17
• IUPAC Name: 1-cyclopropyl-N-[3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-5-yl]methanesulfonamide
• SMILES: CCOc1cccc(-c2nc3ncc(NS(=O)(=O)CC4CC4)nc3n2-c2c(OC)cccc2OC)n1
• InChI: InChI=1S/C24H26N6O5S/c1-4-35-20-10-5-7-16(26-20)23-28-22-24(30(23)21-17(33-2)8-6-9-18(21)34-3)27-19(13-25-22)29-36(31,32)14-15-11-12-15/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,27,29)
• InChIKey: PQFBBNLVUWDMQZ-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 130.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.58
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-5-yl]methanesulfonamide?

The IUPAC name of 1-cyclopropyl-N-[3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-5-yl]methanesulfonamide (CID 146509396) is 1-cyclopropyl-N-[3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-5-yl]methanesulfonamide.

What is the SMILES notation for 1-cyclopropyl-N-[3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-5-yl]methanesulfonamide?

The canonical SMILES for 1-cyclopropyl-N-[3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-5-yl]methanesulfonamide is CCOc1cccc(-c2nc3ncc(NS(=O)(=O)CC4CC4)nc3n2-c2c(OC)cccc2OC)n1.

What is the InChIKey of 1-cyclopropyl-N-[3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-5-yl]methanesulfonamide?

The InChIKey is PQFBBNLVUWDMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O5S/c1-4-35-20-10-5-7-16(26-20)23-28-22-24(30(23)21-17(33-2)8-6-9-18(21)34-3)27-19(13-25-22)29-36(31,32)14-15-11-12-15/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,27,29).

What are the key properties of 1-cyclopropyl-N-[3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-5-yl]methanesulfonamide?

1-cyclopropyl-N-[3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-5-yl]methanesulfonamide has a molecular weight of 510.58 g/mol, XLogP of 3.45, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-N-[3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-5-yl]methanesulfonamide is sourced from PubChem (CID 146509396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).