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

C24H28F2N8O3S2 — CID 168679160

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

N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide (PubChem CID 168679160) has the molecular formula C24H28F2N8O3S2 and a molecular weight of 578.67 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide.

Molecular Properties

• Compound Name: N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide
• PubChem CID: 168679160
• Molecular Formula: C24H28F2N8O3S2
• Molecular Weight: 578.67 g/mol
• Exact Mass: 578.17
• IUPAC Name: N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide
• SMILES: CCn1nc(-c2nnc(C(F)F)s2)c2cc(S(=O)(=O)NC3(C#N)CC3)cc(N3CCN(C(=O)C(C)C)CC3)c21
• InChI: InChI=1S/C24H28F2N8O3S2/c1-4-34-19-16(18(30-34)21-28-29-22(38-21)20(25)26)11-15(39(36,37)31-24(13-27)5-6-24)12-17(19)32-7-9-33(10-8-32)23(35)14(2)3/h11-12,14,20,31H,4-10H2,1-3H3
• InChIKey: SEXSWWFFXZTVMD-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 137.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.67
LogP ≤ 5	3.15
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]-1-ethyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide?

The IUPAC name of N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide (CID 168679160) is N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide.

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

The canonical SMILES for N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide is CCn1nc(-c2nnc(C(F)F)s2)c2cc(S(=O)(=O)NC3(C#N)CC3)cc(N3CCN(C(=O)C(C)C)CC3)c21.

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

The InChIKey is SEXSWWFFXZTVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N8O3S2/c1-4-34-19-16(18(30-34)21-28-29-22(38-21)20(25)26)11-15(39(36,37)31-24(13-27)5-6-24)12-17(19)32-7-9-33(10-8-32)23(35)14(2)3/h11-12,14,20,31H,4-10H2,1-3H3.

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

N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide has a molecular weight of 578.67 g/mol, XLogP of 3.15, 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]-1-ethyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide is sourced from PubChem (CID 168679160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).