2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide

C27H25F2N7O5S — CID 155525983

IUPAC2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(-c4nnc(CCN5CCOCC5)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C27H25F2N7O5S/c1-39-26-21(34-42(37,38)23-4-3-19(28)13-20(23)29)12-18(14-31-26)17-2-5-24-30-15-22(36(24)16-17)27-33-32-25(41-27)6-7-35-8-10-40-11-9-35/h2-5,12-16,34H,6-11H2,1H3
InChIKeyCMCWCTRYQFJGBW-UHFFFAOYSA-N
MW597.60 g/mol
LogP3.41
Rot. Bonds9

About 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 155525983) has the molecular formula C27H25F2N7O5S and a molecular weight of 597.60 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID155525983
Molecular FormulaC27H25F2N7O5S
Molecular Weight597.60 g/mol
Exact Mass597.16
IUPAC Name2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(-c4nnc(CCN5CCOCC5)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C27H25F2N7O5S/c1-39-26-21(34-42(37,38)23-4-3-19(28)13-20(23)29)12-18(14-31-26)17-2-5-24-30-15-22(36(24)16-17)27-33-32-25(41-27)6-7-35-8-10-40-11-9-35/h2-5,12-16,34H,6-11H2,1H3
InChIKeyCMCWCTRYQFJGBW-UHFFFAOYSA-N
XLogP3.41
TPSA136.98 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.60
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (CID 155525983) is 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc3ncc(-c4nnc(CCN5CCOCC5)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is CMCWCTRYQFJGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N7O5S/c1-39-26-21(34-42(37,38)23-4-3-19(28)13-20(23)29)12-18(14-31-26)17-2-5-24-30-15-22(36(24)16-17)27-33-32-25(41-27)6-7-35-8-10-40-11-9-35/h2-5,12-16,34H,6-11H2,1H3.
What are the key properties of 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 597.60 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-methoxy-5-[3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 155525983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).