N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-(4-propanoylpiperazin-1-yl)indazole-5-sulfonamide

C22H24F2N8O3S2 — CID 168679178

IUPACN-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-(4-propanoylpiperazin-1-yl)indazole-5-sulfonamide
SMILESCCC(=O)N1CCN(c2cc(S(=O)(=O)NC3(C#N)CC3)cc3c(-c4nnc(C(F)F)s4)nn(C)c23)CC1
InChIInChI=1S/C22H24F2N8O3S2/c1-3-16(33)32-8-6-31(7-9-32)15-11-13(37(34,35)29-22(12-25)4-5-22)10-14-17(28-30(2)18(14)15)20-26-27-21(36-20)19(23)24/h10-11,19,29H,3-9H2,1-2H3
InChIKeyUCGRQTBWNWAKQL-UHFFFAOYSA-N
MW550.62 g/mol
LogP2.42
Rot. Bonds7

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

N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-(4-propanoylpiperazin-1-yl)indazole-5-sulfonamide (PubChem CID 168679178) has the molecular formula C22H24F2N8O3S2 and a molecular weight of 550.62 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-(4-propanoylpiperazin-1-yl)indazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-(4-propanoylpiperazin-1-yl)indazole-5-sulfonamide
PubChem CID168679178
Molecular FormulaC22H24F2N8O3S2
Molecular Weight550.62 g/mol
Exact Mass550.14
IUPAC NameN-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-(4-propanoylpiperazin-1-yl)indazole-5-sulfonamide
SMILESCCC(=O)N1CCN(c2cc(S(=O)(=O)NC3(C#N)CC3)cc3c(-c4nnc(C(F)F)s4)nn(C)c23)CC1
InChIInChI=1S/C22H24F2N8O3S2/c1-3-16(33)32-8-6-31(7-9-32)15-11-13(37(34,35)29-22(12-25)4-5-22)10-14-17(28-30(2)18(14)15)20-26-27-21(36-20)19(23)24/h10-11,19,29H,3-9H2,1-2H3
InChIKeyUCGRQTBWNWAKQL-UHFFFAOYSA-N
XLogP2.42
TPSA137.11 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.62
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-(4-propanoylpiperazin-1-yl)indazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(dimethylsulfamoyl)piperazin-1-yl]-1-methylindazole-5-sulfonamide
CID 175680958
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
1-[5-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazol-7-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 168679222
N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-[3-(2-methylpropanoyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]indazole-5-sulfonamide
CID 168679231
N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[ethyl-[[1-(2-methylpropanoyl)azetidin-2-yl]methyl]amino]-1-methylindazole-5-sulfonamide
CID 170196365
ethyl 4-[5-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazol-7-yl]-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 175680988
N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-pyrimidin-4-ylindazole-5-sulfonamide
CID 168679165
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]-1-methyl-7-(6-propan-2-ylsulfonyl-3-pyridinyl)indazole-5-sulfonamide
CID 175680978
N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1-methylindazole-5-sulfonamide
CID 175681021
N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-[9-(2-methylpropanoyl)-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl]indazole-5-sulfonamide
CID 168679217

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-(4-propanoylpiperazin-1-yl)indazole-5-sulfonamide?
The IUPAC name of N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-(4-propanoylpiperazin-1-yl)indazole-5-sulfonamide (CID 168679178) is N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-(4-propanoylpiperazin-1-yl)indazole-5-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-(4-propanoylpiperazin-1-yl)indazole-5-sulfonamide?
The canonical SMILES for N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-(4-propanoylpiperazin-1-yl)indazole-5-sulfonamide is CCC(=O)N1CCN(c2cc(S(=O)(=O)NC3(C#N)CC3)cc3c(-c4nnc(C(F)F)s4)nn(C)c23)CC1.
What is the InChIKey of N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-(4-propanoylpiperazin-1-yl)indazole-5-sulfonamide?
The InChIKey is UCGRQTBWNWAKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N8O3S2/c1-3-16(33)32-8-6-31(7-9-32)15-11-13(37(34,35)29-22(12-25)4-5-22)10-14-17(28-30(2)18(14)15)20-26-27-21(36-20)19(23)24/h10-11,19,29H,3-9H2,1-2H3.
What are the key properties of N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-(4-propanoylpiperazin-1-yl)indazole-5-sulfonamide?
N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-(4-propanoylpiperazin-1-yl)indazole-5-sulfonamide has a molecular weight of 550.62 g/mol, XLogP of 2.42, 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]-1-methyl-7-(4-propanoylpiperazin-1-yl)indazole-5-sulfonamide is sourced from PubChem (CID 168679178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).