N-[5-[3-[5-[2-(dimethylamino)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C25H23F2N7O4S — CID 155541852

IUPACN-[5-[3-[5-[2-(dimethylamino)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(-c4nnc(CCN(C)C)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C25H23F2N7O4S/c1-33(2)9-8-23-30-31-25(38-23)20-13-28-22-7-4-15(14-34(20)22)16-10-19(24(37-3)29-12-16)32-39(35,36)21-6-5-17(26)11-18(21)27/h4-7,10-14,32H,8-9H2,1-3H3
InChIKeyFOTONMTWBKEMHG-UHFFFAOYSA-N
MW555.57 g/mol
LogP3.64
Rot. Bonds9

About N-[5-[3-[5-[2-(dimethylamino)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[5-[3-[5-[2-(dimethylamino)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 155541852) has the molecular formula C25H23F2N7O4S and a molecular weight of 555.57 g/mol. Its IUPAC name is N-[5-[3-[5-[2-(dimethylamino)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[3-[5-[2-(dimethylamino)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID155541852
Molecular FormulaC25H23F2N7O4S
Molecular Weight555.57 g/mol
Exact Mass555.15
IUPAC NameN-[5-[3-[5-[2-(dimethylamino)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(-c4nnc(CCN(C)C)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C25H23F2N7O4S/c1-33(2)9-8-23-30-31-25(38-23)20-13-28-22-7-4-15(14-34(20)22)16-10-19(24(37-3)29-12-16)32-39(35,36)21-6-5-17(26)11-18(21)27/h4-7,10-14,32H,8-9H2,1-3H3
InChIKeyFOTONMTWBKEMHG-UHFFFAOYSA-N
XLogP3.64
TPSA127.75 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.57
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[5-[3-[5-[2-(dimethylamino)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[5-[2-(dimethylamino)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-[3-[5-[2-(dimethylamino)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 155541852) is N-[5-[3-[5-[2-(dimethylamino)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-[3-[5-[2-(dimethylamino)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-[3-[5-[2-(dimethylamino)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is COc1ncc(-c2ccc3ncc(-c4nnc(CCN(C)C)o4)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[5-[3-[5-[2-(dimethylamino)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is FOTONMTWBKEMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N7O4S/c1-33(2)9-8-23-30-31-25(38-23)20-13-28-22-7-4-15(14-34(20)22)16-10-19(24(37-3)29-12-16)32-39(35,36)21-6-5-17(26)11-18(21)27/h4-7,10-14,32H,8-9H2,1-3H3.
What are the key properties of N-[5-[3-[5-[2-(dimethylamino)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[5-[3-[5-[2-(dimethylamino)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 555.57 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[5-[2-(dimethylamino)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 155541852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).