N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide

C23H22F5N7O3S2 — CID 168679262

About N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide

N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide (PubChem CID 168679262) has the molecular formula C23H22F5N7O3S2 and a molecular weight of 603.60 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(7-oxa-2-azaspiro[3.5]nonan-2-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-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide
• PubChem CID: 168679262
• Molecular Formula: C23H22F5N7O3S2
• Molecular Weight: 603.60 g/mol
• Exact Mass: 603.11
• IUPAC Name: N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide
• SMILES: N#CC1(NS(=O)(=O)c2cc(N3CC4(CCOCC4)C3)c3c(c2)c(-c2nnc(C(F)F)s2)nn3CC(F)(F)F)CC1
• InChI: InChI=1S/C23H22F5N7O3S2/c24-18(25)20-31-30-19(39-20)16-14-7-13(40(36,37)33-22(9-29)1-2-22)8-15(17(14)35(32-16)12-23(26,27)28)34-10-21(11-34)3-5-38-6-4-21/h7-8,18,33H,1-6,10-12H2
• InChIKey: IGRBPMOYXAOIJN-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 126.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.60
LogP ≤ 5	4.01
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-(7-oxa-2-azaspiro[3.5]nonan-2-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-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide (CID 168679262) is N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(7-oxa-2-azaspiro[3.5]nonan-2-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-(7-oxa-2-azaspiro[3.5]nonan-2-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-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide is N#CC1(NS(=O)(=O)c2cc(N3CC4(CCOCC4)C3)c3c(c2)c(-c2nnc(C(F)F)s2)nn3CC(F)(F)F)CC1.

What is the InChIKey of N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide?

The InChIKey is IGRBPMOYXAOIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F5N7O3S2/c24-18(25)20-31-30-19(39-20)16-14-7-13(40(36,37)33-22(9-29)1-2-22)8-15(17(14)35(32-16)12-23(26,27)28)34-10-21(11-34)3-5-38-6-4-21/h7-8,18,33H,1-6,10-12H2.

What are the key properties of N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide?

N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide has a molecular weight of 603.60 g/mol, XLogP of 4.01, 7 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-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide is sourced from PubChem (CID 168679262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).