N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide

C24H25F5N8O3S2 — CID 168679164

About N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide

N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide (PubChem CID 168679164) has the molecular formula C24H25F5N8O3S2 and a molecular weight of 632.64 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide.

Molecular Properties

• Compound Name: N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide
• PubChem CID: 168679164
• Molecular Formula: C24H25F5N8O3S2
• Molecular Weight: 632.64 g/mol
• Exact Mass: 632.14
• IUPAC Name: N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide
• SMILES: CC(C)C(=O)N1CCN(c2cc(S(=O)(=O)NC3(C#N)CC3)cc3c(-c4nnc(C(F)F)s4)nn(CC(F)(F)F)c23)CC1
• InChI: InChI=1S/C24H25F5N8O3S2/c1-13(2)22(38)36-7-5-35(6-8-36)16-10-14(42(39,40)34-23(11-30)3-4-23)9-15-17(20-31-32-21(41-20)19(25)26)33-37(18(15)16)12-24(27,28)29/h9-10,13,19,34H,3-8,12H2,1-2H3
• InChIKey: BGCUHWQXPUECDT-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 137.11 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	632.64
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide?

The IUPAC name of N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide (CID 168679164) is N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide.

What is the SMILES notation for N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide?

The canonical SMILES for N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide is CC(C)C(=O)N1CCN(c2cc(S(=O)(=O)NC3(C#N)CC3)cc3c(-c4nnc(C(F)F)s4)nn(CC(F)(F)F)c23)CC1.

What is the InChIKey of N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide?

The InChIKey is BGCUHWQXPUECDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F5N8O3S2/c1-13(2)22(38)36-7-5-35(6-8-36)16-10-14(42(39,40)34-23(11-30)3-4-23)9-15-17(20-31-32-21(41-20)19(25)26)33-37(18(15)16)12-24(27,28)29/h9-10,13,19,34H,3-8,12H2,1-2H3.

What are the key properties of N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide?

N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide has a molecular weight of 632.64 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide is sourced from PubChem (CID 168679164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).