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

C23H27F2N7O3S2 — CID 168679161

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

7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide (PubChem CID 168679161) has the molecular formula C23H27F2N7O3S2 and a molecular weight of 551.65 g/mol. Its IUPAC name is 7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide.

Molecular Properties

• Compound Name: 7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide
• PubChem CID: 168679161
• Molecular Formula: C23H27F2N7O3S2
• Molecular Weight: 551.65 g/mol
• Exact Mass: 551.16
• IUPAC Name: 7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide
• SMILES: Cn1nc(-c2nnc(C(F)F)s2)c2cc(S(=O)(=O)NC3(C)CC3)cc(N3CCN(C(=O)C4CC4)CC3)c21
• InChI: InChI=1S/C23H27F2N7O3S2/c1-23(5-6-23)29-37(34,35)14-11-15-17(20-26-27-21(36-20)19(24)25)28-30(2)18(15)16(12-14)31-7-9-32(10-8-31)22(33)13-3-4-13/h11-13,19,29H,3-10H2,1-2H3
• InChIKey: MFGUVXJAOYPCQX-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 113.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.65
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide?

The IUPAC name of 7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide (CID 168679161) is 7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide.

What is the SMILES notation for 7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide?

The canonical SMILES for 7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide is Cn1nc(-c2nnc(C(F)F)s2)c2cc(S(=O)(=O)NC3(C)CC3)cc(N3CCN(C(=O)C4CC4)CC3)c21.

What is the InChIKey of 7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide?

The InChIKey is MFGUVXJAOYPCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N7O3S2/c1-23(5-6-23)29-37(34,35)14-11-15-17(20-26-27-21(36-20)19(24)25)28-30(2)18(15)16(12-14)31-7-9-32(10-8-31)22(33)13-3-4-13/h11-13,19,29H,3-10H2,1-2H3.

What are the key properties of 7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide?

7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide has a molecular weight of 551.65 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide is sourced from PubChem (CID 168679161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).