8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-[5-(1-fluorocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[(1S,2R)-2-(methoxymethyl)-1-methylcyclopropyl]imidazo[1,2-a]pyridine-6-sulfonamide

C24H32FN7O3S2 — CID 177049679

About 8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-[5-(1-fluorocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[(1S,2R)-2-(methoxymethyl)-1-methylcyclopropyl]imidazo[1,2-a]pyridine-6-sulfonamide

8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-[5-(1-fluorocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[(1S,2R)-2-(methoxymethyl)-1-methylcyclopropyl]imidazo[1,2-a]pyridine-6-sulfonamide (PubChem CID 177049679) has the molecular formula C24H32FN7O3S2 and a molecular weight of 549.70 g/mol. Its IUPAC name is 8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-[5-(1-fluorocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[(1S,2R)-2-(methoxymethyl)-1-methylcyclopropyl]imidazo[1,2-a]pyridine-6-sulfonamide.

Molecular Properties

• Compound Name: 8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-[5-(1-fluorocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[(1S,2R)-2-(methoxymethyl)-1-methylcyclopropyl]imidazo[1,2-a]pyridine-6-sulfonamide
• PubChem CID: 177049679
• Molecular Formula: C24H32FN7O3S2
• Molecular Weight: 549.70 g/mol
• Exact Mass: 549.20
• IUPAC Name: 8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-[5-(1-fluorocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[(1S,2R)-2-(methoxymethyl)-1-methylcyclopropyl]imidazo[1,2-a]pyridine-6-sulfonamide
• SMILES: COC[C@@H]1C[C@]1(C)NS(=O)(=O)c1cc(N2C[C@H](C)N[C@@H](C)C2)c2ncc(-c3nnc(C4(F)CC4)s3)n2c1
• InChI: InChI=1S/C24H32FN7O3S2/c1-14-10-31(11-15(2)27-14)18-7-17(37(33,34)30-23(3)8-16(23)13-35-4)12-32-19(9-26-20(18)32)21-28-29-22(36-21)24(25)5-6-24/h7,9,12,14-16,27,30H,5-6,8,10-11,13H2,1-4H3/t14-,15-,16-,23-/m0/s1
• InChIKey: PZTYJHPUUDYTFN-YQSSMULNSA-N
• XLogP: 2.70
• TPSA: 113.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.70
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-[5-(1-fluorocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[(1S,2R)-2-(methoxymethyl)-1-methylcyclopropyl]imidazo[1,2-a]pyridine-6-sulfonamide?

The IUPAC name of 8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-[5-(1-fluorocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[(1S,2R)-2-(methoxymethyl)-1-methylcyclopropyl]imidazo[1,2-a]pyridine-6-sulfonamide (CID 177049679) is 8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-[5-(1-fluorocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[(1S,2R)-2-(methoxymethyl)-1-methylcyclopropyl]imidazo[1,2-a]pyridine-6-sulfonamide.

What is the SMILES notation for 8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-[5-(1-fluorocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[(1S,2R)-2-(methoxymethyl)-1-methylcyclopropyl]imidazo[1,2-a]pyridine-6-sulfonamide?

The canonical SMILES for 8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-[5-(1-fluorocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[(1S,2R)-2-(methoxymethyl)-1-methylcyclopropyl]imidazo[1,2-a]pyridine-6-sulfonamide is COC[C@@H]1C[C@]1(C)NS(=O)(=O)c1cc(N2C[C@H](C)N[C@@H](C)C2)c2ncc(-c3nnc(C4(F)CC4)s3)n2c1.

What is the InChIKey of 8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-[5-(1-fluorocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[(1S,2R)-2-(methoxymethyl)-1-methylcyclopropyl]imidazo[1,2-a]pyridine-6-sulfonamide?

The InChIKey is PZTYJHPUUDYTFN-YQSSMULNSA-N. The full InChI is InChI=1S/C24H32FN7O3S2/c1-14-10-31(11-15(2)27-14)18-7-17(37(33,34)30-23(3)8-16(23)13-35-4)12-32-19(9-26-20(18)32)21-28-29-22(36-21)24(25)5-6-24/h7,9,12,14-16,27,30H,5-6,8,10-11,13H2,1-4H3/t14-,15-,16-,23-/m0/s1.

What are the key properties of 8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-[5-(1-fluorocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[(1S,2R)-2-(methoxymethyl)-1-methylcyclopropyl]imidazo[1,2-a]pyridine-6-sulfonamide?

8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-[5-(1-fluorocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[(1S,2R)-2-(methoxymethyl)-1-methylcyclopropyl]imidazo[1,2-a]pyridine-6-sulfonamide has a molecular weight of 549.70 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-[5-(1-fluorocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[(1S,2R)-2-(methoxymethyl)-1-methylcyclopropyl]imidazo[1,2-a]pyridine-6-sulfonamide is sourced from PubChem (CID 177049679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).