N-(1-cyanocyclopropyl)-3-cyclopropyl-5-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-[5-(1-fluoro-1-iodoethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-7-sulfonamide

C24H28FIN8O2S2 — CID 178144230

About N-(1-cyanocyclopropyl)-3-cyclopropyl-5-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-[5-(1-fluoro-1-iodoethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-7-sulfonamide

N-(1-cyanocyclopropyl)-3-cyclopropyl-5-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-[5-(1-fluoro-1-iodoethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-7-sulfonamide (PubChem CID 178144230) has the molecular formula C24H28FIN8O2S2 and a molecular weight of 670.58 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-3-cyclopropyl-5-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-[5-(1-fluoro-1-iodoethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-7-sulfonamide.

Molecular Properties

• Compound Name: N-(1-cyanocyclopropyl)-3-cyclopropyl-5-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-[5-(1-fluoro-1-iodoethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-7-sulfonamide
• PubChem CID: 178144230
• Molecular Formula: C24H28FIN8O2S2
• Molecular Weight: 670.58 g/mol
• Exact Mass: 670.08
• IUPAC Name: N-(1-cyanocyclopropyl)-3-cyclopropyl-5-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-[5-(1-fluoro-1-iodoethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-7-sulfonamide
• SMILES: C[C@H]1CN(c2cc(S(=O)(=O)NC3(C#N)CC3)cc3c(-c4nnc(C(C)(F)I)s4)nc(C4CC4)n23)C[C@H](C)N1
• InChI: InChI=1S/C24H28FIN8O2S2/c1-13-10-33(11-14(2)28-13)18-9-16(38(35,36)32-24(12-27)6-7-24)8-17-19(29-20(34(17)18)15-4-5-15)21-30-31-22(37-21)23(3,25)26/h8-9,13-15,28,32H,4-7,10-11H2,1-3H3/t13-,14-,23?/m0/s1
• InChIKey: TWXABWYNWRVUKO-GWHQMRIRSA-N
• XLogP: 3.83
• TPSA: 128.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	670.58
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-3-cyclopropyl-5-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-[5-(1-fluoro-1-iodoethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-7-sulfonamide?

The IUPAC name of N-(1-cyanocyclopropyl)-3-cyclopropyl-5-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-[5-(1-fluoro-1-iodoethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-7-sulfonamide (CID 178144230) is N-(1-cyanocyclopropyl)-3-cyclopropyl-5-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-[5-(1-fluoro-1-iodoethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-7-sulfonamide.

What is the SMILES notation for N-(1-cyanocyclopropyl)-3-cyclopropyl-5-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-[5-(1-fluoro-1-iodoethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-7-sulfonamide?

The canonical SMILES for N-(1-cyanocyclopropyl)-3-cyclopropyl-5-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-[5-(1-fluoro-1-iodoethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-7-sulfonamide is C[C@H]1CN(c2cc(S(=O)(=O)NC3(C#N)CC3)cc3c(-c4nnc(C(C)(F)I)s4)nc(C4CC4)n23)C[C@H](C)N1.

What is the InChIKey of N-(1-cyanocyclopropyl)-3-cyclopropyl-5-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-[5-(1-fluoro-1-iodoethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-7-sulfonamide?

The InChIKey is TWXABWYNWRVUKO-GWHQMRIRSA-N. The full InChI is InChI=1S/C24H28FIN8O2S2/c1-13-10-33(11-14(2)28-13)18-9-16(38(35,36)32-24(12-27)6-7-24)8-17-19(29-20(34(17)18)15-4-5-15)21-30-31-22(37-21)23(3,25)26/h8-9,13-15,28,32H,4-7,10-11H2,1-3H3/t13-,14-,23?/m0/s1.

What are the key properties of N-(1-cyanocyclopropyl)-3-cyclopropyl-5-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-[5-(1-fluoro-1-iodoethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-7-sulfonamide?

N-(1-cyanocyclopropyl)-3-cyclopropyl-5-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-[5-(1-fluoro-1-iodoethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-7-sulfonamide has a molecular weight of 670.58 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyanocyclopropyl)-3-cyclopropyl-5-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-[5-(1-fluoro-1-iodoethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-7-sulfonamide is sourced from PubChem (CID 178144230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).