N-(1-methylcyclopropyl)-8-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide

C21H26F3N7O4S3 — CID 178144223

About N-(1-methylcyclopropyl)-8-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide

N-(1-methylcyclopropyl)-8-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide (PubChem CID 178144223) has the molecular formula C21H26F3N7O4S3 and a molecular weight of 593.68 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)-8-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide.

Molecular Properties

• Compound Name: N-(1-methylcyclopropyl)-8-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide
• PubChem CID: 178144223
• Molecular Formula: C21H26F3N7O4S3
• Molecular Weight: 593.68 g/mol
• Exact Mass: 593.12
• IUPAC Name: N-(1-methylcyclopropyl)-8-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide
• SMILES: CC(C)S(=O)(=O)N1CCN(c2cc(S(=O)(=O)NC3(C)CC3)cn3c(-c4nnc(C(F)(F)F)s4)ncc23)CC1
• InChI: InChI=1S/C21H26F3N7O4S3/c1-13(2)38(34,35)30-8-6-29(7-9-30)15-10-14(37(32,33)28-20(3)4-5-20)12-31-16(15)11-25-17(31)18-26-27-19(36-18)21(22,23)24/h10-13,28H,4-9H2,1-3H3
• InChIKey: MHNRJGAIZCDSIJ-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 129.87 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	593.68
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)-8-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide?

The IUPAC name of N-(1-methylcyclopropyl)-8-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide (CID 178144223) is N-(1-methylcyclopropyl)-8-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide.

What is the SMILES notation for N-(1-methylcyclopropyl)-8-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide?

The canonical SMILES for N-(1-methylcyclopropyl)-8-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide is CC(C)S(=O)(=O)N1CCN(c2cc(S(=O)(=O)NC3(C)CC3)cn3c(-c4nnc(C(F)(F)F)s4)ncc23)CC1.

What is the InChIKey of N-(1-methylcyclopropyl)-8-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide?

The InChIKey is MHNRJGAIZCDSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N7O4S3/c1-13(2)38(34,35)30-8-6-29(7-9-30)15-10-14(37(32,33)28-20(3)4-5-20)12-31-16(15)11-25-17(31)18-26-27-19(36-18)21(22,23)24/h10-13,28H,4-9H2,1-3H3.

What are the key properties of N-(1-methylcyclopropyl)-8-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide?

N-(1-methylcyclopropyl)-8-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide has a molecular weight of 593.68 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-methylcyclopropyl)-8-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide is sourced from PubChem (CID 178144223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).