N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-1-(3-fluoro-2-pyridinyl)methanesulfonamide;molecular hydrogen

C26H25ClFN7O5S — CID 167674783

About N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-1-(3-fluoro-2-pyridinyl)methanesulfonamide;molecular hydrogen

N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-1-(3-fluoro-2-pyridinyl)methanesulfonamide;molecular hydrogen (PubChem CID 167674783) has the molecular formula C26H25ClFN7O5S and a molecular weight of 602.05 g/mol. Its IUPAC name is N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-1-(3-fluoro-2-pyridinyl)methanesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-1-(3-fluoro-2-pyridinyl)methanesulfonamide;molecular hydrogen
• PubChem CID: 167674783
• Molecular Formula: C26H25ClFN7O5S
• Molecular Weight: 602.05 g/mol
• Exact Mass: 601.13
• IUPAC Name: N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-1-(3-fluoro-2-pyridinyl)methanesulfonamide;molecular hydrogen
• SMILES: CCOc1cccc(-c2nc3nc(Cl)c(NS(=O)(=O)Cc4ncccc4F)nc3n2-c2c(OC)cccc2OC)n1.[H][H]
• InChI: InChI=1S/C26H23ClFN7O5S.H2/c1-4-40-20-12-5-9-16(30-20)25-33-24-26(35(25)21-18(38-2)10-6-11-19(21)39-3)32-23(22(27)31-24)34-41(36,37)14-17-15(28)8-7-13-29-17;/h5-13H,4,14H2,1-3H3,(H,32,34);1H
• InChIKey: UQNMQCFGHYRZME-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 143.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.05
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-1-(3-fluoro-2-pyridinyl)methanesulfonamide;molecular hydrogen (CID 167674783) is N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-1-(3-fluoro-2-pyridinyl)methanesulfonamide;molecular hydrogen.

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

The canonical SMILES for N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-1-(3-fluoro-2-pyridinyl)methanesulfonamide;molecular hydrogen is CCOc1cccc(-c2nc3nc(Cl)c(NS(=O)(=O)Cc4ncccc4F)nc3n2-c2c(OC)cccc2OC)n1.[H][H].

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

The InChIKey is UQNMQCFGHYRZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN7O5S.H2/c1-4-40-20-12-5-9-16(30-20)25-33-24-26(35(25)21-18(38-2)10-6-11-19(21)39-3)32-23(22(27)31-24)34-41(36,37)14-17-15(28)8-7-13-29-17;/h5-13H,4,14H2,1-3H3,(H,32,34);1H.

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

N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-1-(3-fluoro-2-pyridinyl)methanesulfonamide;molecular hydrogen has a molecular weight of 602.05 g/mol, XLogP of 4.67, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-1-(3-fluoro-2-pyridinyl)methanesulfonamide;molecular hydrogen is sourced from PubChem (CID 167674783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).