1-[5-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazol-7-yl]-N,N-dimethylpiperidine-4-carboxamide

C23H26F2N8O3S2 — CID 168679222

About 1-[5-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazol-7-yl]-N,N-dimethylpiperidine-4-carboxamide

1-[5-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazol-7-yl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 168679222) has the molecular formula C23H26F2N8O3S2 and a molecular weight of 564.64 g/mol. Its IUPAC name is 1-[5-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazol-7-yl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[5-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazol-7-yl]-N,N-dimethylpiperidine-4-carboxamide
• PubChem CID: 168679222
• Molecular Formula: C23H26F2N8O3S2
• Molecular Weight: 564.64 g/mol
• Exact Mass: 564.15
• IUPAC Name: 1-[5-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazol-7-yl]-N,N-dimethylpiperidine-4-carboxamide
• SMILES: CN(C)C(=O)C1CCN(c2cc(S(=O)(=O)NC3(C#N)CC3)cc3c(-c4nnc(C(F)F)s4)nn(C)c23)CC1
• InChI: InChI=1S/C23H26F2N8O3S2/c1-31(2)22(34)13-4-8-33(9-5-13)16-11-14(38(35,36)30-23(12-26)6-7-23)10-15-17(29-32(3)18(15)16)20-27-28-21(37-20)19(24)25/h10-11,13,19,30H,4-9H2,1-3H3
• InChIKey: JAVNKSDZSOKHKW-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 137.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.64
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazol-7-yl]-N,N-dimethylpiperidine-4-carboxamide?

The IUPAC name of 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) is 1-[5-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazol-7-yl]-N,N-dimethylpiperidine-4-carboxamide.

What is the SMILES notation for 1-[5-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazol-7-yl]-N,N-dimethylpiperidine-4-carboxamide?

The canonical SMILES for 1-[5-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazol-7-yl]-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(c2cc(S(=O)(=O)NC3(C#N)CC3)cc3c(-c4nnc(C(F)F)s4)nn(C)c23)CC1.

What is the InChIKey of 1-[5-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazol-7-yl]-N,N-dimethylpiperidine-4-carboxamide?

The InChIKey is JAVNKSDZSOKHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N8O3S2/c1-31(2)22(34)13-4-8-33(9-5-13)16-11-14(38(35,36)30-23(12-26)6-7-23)10-15-17(29-32(3)18(15)16)20-27-28-21(37-20)19(24)25/h10-11,13,19,30H,4-9H2,1-3H3.

What are the key properties of 1-[5-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazol-7-yl]-N,N-dimethylpiperidine-4-carboxamide?

1-[5-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazol-7-yl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 564.64 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazol-7-yl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 168679222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).