N-[2-[4-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]pyrazol-1-yl]ethyl]ethanesulfonamide

C24H25F2N5O4S — CID 159501972

About N-[2-[4-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]pyrazol-1-yl]ethyl]ethanesulfonamide

N-[2-[4-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]pyrazol-1-yl]ethyl]ethanesulfonamide (PubChem CID 159501972) has the molecular formula C24H25F2N5O4S and a molecular weight of 517.56 g/mol. Its IUPAC name is N-[2-[4-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]pyrazol-1-yl]ethyl]ethanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[4-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]pyrazol-1-yl]ethyl]ethanesulfonamide
• PubChem CID: 159501972
• Molecular Formula: C24H25F2N5O4S
• Molecular Weight: 517.56 g/mol
• Exact Mass: 517.16
• IUPAC Name: N-[2-[4-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]pyrazol-1-yl]ethyl]ethanesulfonamide
• SMILES: CCS(=O)(=O)NCCn1cc(CC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cccn23)cn1
• InChI: InChI=1S/C24H25F2N5O4S/c1-3-36(33,34)28-9-11-30-14-17(13-27-30)12-21(32)23-16(2)29-24-22(8-5-10-31(23)24)35-15-18-19(25)6-4-7-20(18)26/h4-8,10,13-14,28H,3,9,11-12,15H2,1-2H3
• InChIKey: LZMSHUMWBDNLAD-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 107.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.56
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]pyrazol-1-yl]ethyl]ethanesulfonamide?

The IUPAC name of N-[2-[4-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]pyrazol-1-yl]ethyl]ethanesulfonamide (CID 159501972) is N-[2-[4-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]pyrazol-1-yl]ethyl]ethanesulfonamide.

What is the SMILES notation for N-[2-[4-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]pyrazol-1-yl]ethyl]ethanesulfonamide?

The canonical SMILES for N-[2-[4-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]pyrazol-1-yl]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCn1cc(CC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cccn23)cn1.

What is the InChIKey of N-[2-[4-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]pyrazol-1-yl]ethyl]ethanesulfonamide?

The InChIKey is LZMSHUMWBDNLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O4S/c1-3-36(33,34)28-9-11-30-14-17(13-27-30)12-21(32)23-16(2)29-24-22(8-5-10-31(23)24)35-15-18-19(25)6-4-7-20(18)26/h4-8,10,13-14,28H,3,9,11-12,15H2,1-2H3.

What are the key properties of N-[2-[4-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]pyrazol-1-yl]ethyl]ethanesulfonamide?

N-[2-[4-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]pyrazol-1-yl]ethyl]ethanesulfonamide has a molecular weight of 517.56 g/mol, XLogP of 3.06, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[2-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-oxoethyl]pyrazol-1-yl]ethyl]ethanesulfonamide is sourced from PubChem (CID 159501972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).