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

C24H28F5N7O3S2 — CID 168679157

IUPAC3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide
SMILESCC(C)C(=O)N1CCN(c2cc(S(=O)(=O)NC3(C)CC3)cc3c(-c4nnc(C(F)F)s4)nn(CC(F)(F)F)c23)CC1
InChIInChI=1S/C24H28F5N7O3S2/c1-13(2)22(37)35-8-6-34(7-9-35)16-11-14(41(38,39)33-23(3)4-5-23)10-15-17(20-30-31-21(40-20)19(25)26)32-36(18(15)16)12-24(27,28)29/h10-11,13,19,33H,4-9,12H2,1-3H3
InChIKeyNRFFNMVWVNGEBX-UHFFFAOYSA-N
MW621.66 g/mol
LogP4.19
Rot. Bonds8

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

3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide (PubChem CID 168679157) has the molecular formula C24H28F5N7O3S2 and a molecular weight of 621.66 g/mol. Its IUPAC name is 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide.

Molecular Properties

Compound Name3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide
PubChem CID168679157
Molecular FormulaC24H28F5N7O3S2
Molecular Weight621.66 g/mol
Exact Mass621.16
IUPAC Name3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide
SMILESCC(C)C(=O)N1CCN(c2cc(S(=O)(=O)NC3(C)CC3)cc3c(-c4nnc(C(F)F)s4)nn(CC(F)(F)F)c23)CC1
InChIInChI=1S/C24H28F5N7O3S2/c1-13(2)22(37)35-8-6-34(7-9-35)16-11-14(41(38,39)33-23(3)4-5-23)10-15-17(20-30-31-21(40-20)19(25)26)32-36(18(15)16)12-24(27,28)29/h10-11,13,19,33H,4-9,12H2,1-3H3
InChIKeyNRFFNMVWVNGEBX-UHFFFAOYSA-N
XLogP4.19
TPSA113.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.66
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

N-(1-cyanocyclopropyl)-1-(cyanomethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[(3R)-3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide
CID 168679244
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
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-propan-2-yl-N-(2-trimethylsilylethoxymethyl)indazole-5-sulfonamide
CID 169044963
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-7-(trifluoromethyl)indazole-5-sulfonamide
CID 168679144
N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-[4-(3-methylbutanoyl)piperazin-1-yl]indazole-5-sulfonamide
CID 169044860
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-N-(1-isocyanocyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(2-trimethylsilylethoxymethyl)indazole-5-sulfonamide
CID 169044768
N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-(4-propanoylpiperazin-1-yl)indazole-5-sulfonamide
CID 168679178
3-[3-deuterio-1-(2-fluoroethyl)azetidin-3-yl]oxy-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-4-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-6-sulfonamide
CID 178142915
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-isocyanocyclopropyl)-1-methyl-7-[(3R)-3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide
CID 169045139
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[(2R,3S)-2-ethylazetidin-3-yl]oxy-N-(1-methylcyclopropyl)-4-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-6-sulfonamide
CID 178142908
N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-[4-(pyridine-2-carbonyl)piperazin-1-yl]indazole-5-sulfonamide
CID 168679176
N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(dimethylsulfamoyl)piperazin-1-yl]-1-methylindazole-5-sulfonamide
CID 175680958

Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide?
The IUPAC name of 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide (CID 168679157) is 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide.
What is the SMILES notation for 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide?
The canonical SMILES for 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-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)CC3)cc3c(-c4nnc(C(F)F)s4)nn(CC(F)(F)F)c23)CC1.
What is the InChIKey of 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide?
The InChIKey is NRFFNMVWVNGEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F5N7O3S2/c1-13(2)22(37)35-8-6-34(7-9-35)16-11-14(41(38,39)33-23(3)4-5-23)10-15-17(20-30-31-21(40-20)19(25)26)32-36(18(15)16)12-24(27,28)29/h10-11,13,19,33H,4-9,12H2,1-3H3.
What are the key properties of 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide?
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide has a molecular weight of 621.66 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide is sourced from PubChem (CID 168679157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).