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

C22H25F2N9O3S2 — CID 168679167

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

4-[5-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazol-7-yl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 168679167) has the molecular formula C22H25F2N9O3S2 and a molecular weight of 565.63 g/mol. Its IUPAC name is 4-[5-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazol-7-yl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[5-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazol-7-yl]-N,N-dimethylpiperazine-1-carboxamide
• PubChem CID: 168679167
• Molecular Formula: C22H25F2N9O3S2
• Molecular Weight: 565.63 g/mol
• Exact Mass: 565.15
• IUPAC Name: 4-[5-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazol-7-yl]-N,N-dimethylpiperazine-1-carboxamide
• SMILES: CN(C)C(=O)N1CCN(c2cc(S(=O)(=O)NC3(C#N)CC3)cc3c(-c4nnc(C(F)F)s4)nn(C)c23)CC1
• InChI: InChI=1S/C22H25F2N9O3S2/c1-30(2)21(34)33-8-6-32(7-9-33)15-11-13(38(35,36)29-22(12-25)4-5-22)10-14-16(28-31(3)17(14)15)19-26-27-20(37-19)18(23)24/h10-11,18,29H,4-9H2,1-3H3
• InChIKey: RTDYNPMOBLQXCZ-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 140.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.63
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 4-[5-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazol-7-yl]-N,N-dimethylpiperazine-1-carboxamide (CID 168679167) is 4-[5-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazol-7-yl]-N,N-dimethylpiperazine-1-carboxamide.

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

The canonical SMILES for 4-[5-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazol-7-yl]-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=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 4-[5-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazol-7-yl]-N,N-dimethylpiperazine-1-carboxamide?

The InChIKey is RTDYNPMOBLQXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N9O3S2/c1-30(2)21(34)33-8-6-32(7-9-33)15-11-13(38(35,36)29-22(12-25)4-5-22)10-14-16(28-31(3)17(14)15)19-26-27-20(37-19)18(23)24/h10-11,18,29H,4-9H2,1-3H3.

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

4-[5-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazol-7-yl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 565.63 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazol-7-yl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 168679167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).