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

C27H25ClF2N8O3S — CID 155565150

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

N-[2-chloro-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 155565150) has the molecular formula C27H25ClF2N8O3S and a molecular weight of 615.07 g/mol. Its IUPAC name is N-[2-chloro-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
• PubChem CID: 155565150
• Molecular Formula: C27H25ClF2N8O3S
• Molecular Weight: 615.07 g/mol
• Exact Mass: 614.14
• IUPAC Name: N-[2-chloro-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
• SMILES: CN1CCN(CCc2nnc(-c3cnc4ccc(-c5cnc(Cl)c(NS(=O)(=O)c6ccc(F)cc6F)c5)cn34)o2)CC1
• InChI: InChI=1S/C27H25ClF2N8O3S/c1-36-8-10-37(11-9-36)7-6-25-33-34-27(41-25)22-15-31-24-5-2-17(16-38(22)24)18-12-21(26(28)32-14-18)35-42(39,40)23-4-3-19(29)13-20(23)30/h2-5,12-16,35H,6-11H2,1H3
• InChIKey: DVNAZSXISSZXHH-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 121.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	615.07
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide?

The IUPAC name of N-[2-chloro-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 155565150) is N-[2-chloro-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

What is the SMILES notation for N-[2-chloro-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide?

The canonical SMILES for N-[2-chloro-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide is CN1CCN(CCc2nnc(-c3cnc4ccc(-c5cnc(Cl)c(NS(=O)(=O)c6ccc(F)cc6F)c5)cn34)o2)CC1.

What is the InChIKey of N-[2-chloro-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide?

The InChIKey is DVNAZSXISSZXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClF2N8O3S/c1-36-8-10-37(11-9-36)7-6-25-33-34-27(41-25)22-15-31-24-5-2-17(16-38(22)24)18-12-21(26(28)32-14-18)35-42(39,40)23-4-3-19(29)13-20(23)30/h2-5,12-16,35H,6-11H2,1H3.

What are the key properties of N-[2-chloro-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide?

N-[2-chloro-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 615.07 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 155565150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).