N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-5-sulfonamide

C21H20F2N10O3S2 — CID 177049688

About N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-5-sulfonamide

N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-5-sulfonamide (PubChem CID 177049688) has the molecular formula C21H20F2N10O3S2 and a molecular weight of 562.59 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-5-sulfonamide.

Molecular Properties

• Compound Name: N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-5-sulfonamide
• PubChem CID: 177049688
• Molecular Formula: C21H20F2N10O3S2
• Molecular Weight: 562.59 g/mol
• Exact Mass: 562.11
• IUPAC Name: N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-5-sulfonamide
• SMILES: Cc1nnc(N2CCN(c3cc(S(=O)(=O)NC4(C#N)CC4)cc4c(-c5nnc(C(F)F)s5)cnn34)CC2)o1
• InChI: InChI=1S/C21H20F2N10O3S2/c1-12-26-29-20(36-12)32-6-4-31(5-7-32)16-9-13(38(34,35)30-21(11-24)2-3-21)8-15-14(10-25-33(15)16)18-27-28-19(37-18)17(22)23/h8-10,17,30H,2-7H2,1H3
• InChIKey: SLXIAKBWBYWSET-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 158.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.59
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-5-sulfonamide?

The IUPAC name of N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-5-sulfonamide (CID 177049688) is N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-5-sulfonamide.

What is the SMILES notation for N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-5-sulfonamide?

The canonical SMILES for N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-5-sulfonamide is Cc1nnc(N2CCN(c3cc(S(=O)(=O)NC4(C#N)CC4)cc4c(-c5nnc(C(F)F)s5)cnn34)CC2)o1.

What is the InChIKey of N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-5-sulfonamide?

The InChIKey is SLXIAKBWBYWSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N10O3S2/c1-12-26-29-20(36-12)32-6-4-31(5-7-32)16-9-13(38(34,35)30-21(11-24)2-3-21)8-15-14(10-25-33(15)16)18-27-28-19(37-18)17(22)23/h8-10,17,30H,2-7H2,1H3.

What are the key properties of N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-5-sulfonamide?

N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-5-sulfonamide has a molecular weight of 562.59 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-5-sulfonamide is sourced from PubChem (CID 177049688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).