N-(1-cyanocyclopropyl)-7-fluoro-8-[4-(2-methylpropanoyl)piperazin-1-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide

C22H22F4N8O3S2 — CID 170566968

About N-(1-cyanocyclopropyl)-7-fluoro-8-[4-(2-methylpropanoyl)piperazin-1-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide

N-(1-cyanocyclopropyl)-7-fluoro-8-[4-(2-methylpropanoyl)piperazin-1-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide (PubChem CID 170566968) has the molecular formula C22H22F4N8O3S2 and a molecular weight of 586.60 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-7-fluoro-8-[4-(2-methylpropanoyl)piperazin-1-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide.

Molecular Properties

• Compound Name: N-(1-cyanocyclopropyl)-7-fluoro-8-[4-(2-methylpropanoyl)piperazin-1-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide
• PubChem CID: 170566968
• Molecular Formula: C22H22F4N8O3S2
• Molecular Weight: 586.60 g/mol
• Exact Mass: 586.12
• IUPAC Name: N-(1-cyanocyclopropyl)-7-fluoro-8-[4-(2-methylpropanoyl)piperazin-1-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide
• SMILES: CC(C)C(=O)N1CCN(c2c(F)c(S(=O)(=O)NC3(C#N)CC3)cn3c(-c4nnc(C(F)(F)F)s4)ncc23)CC1
• InChI: InChI=1S/C22H22F4N8O3S2/c1-12(2)19(35)33-7-5-32(6-8-33)16-13-9-28-17(18-29-30-20(38-18)22(24,25)26)34(13)10-14(15(16)23)39(36,37)31-21(11-27)3-4-21/h9-10,12,31H,3-8H2,1-2H3
• InChIKey: HAEZREFEQBBMJV-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 136.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	586.60
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-7-fluoro-8-[4-(2-methylpropanoyl)piperazin-1-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide?

The IUPAC name of N-(1-cyanocyclopropyl)-7-fluoro-8-[4-(2-methylpropanoyl)piperazin-1-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide (CID 170566968) is N-(1-cyanocyclopropyl)-7-fluoro-8-[4-(2-methylpropanoyl)piperazin-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-cyanocyclopropyl)-7-fluoro-8-[4-(2-methylpropanoyl)piperazin-1-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide?

The canonical SMILES for N-(1-cyanocyclopropyl)-7-fluoro-8-[4-(2-methylpropanoyl)piperazin-1-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide is CC(C)C(=O)N1CCN(c2c(F)c(S(=O)(=O)NC3(C#N)CC3)cn3c(-c4nnc(C(F)(F)F)s4)ncc23)CC1.

What is the InChIKey of N-(1-cyanocyclopropyl)-7-fluoro-8-[4-(2-methylpropanoyl)piperazin-1-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide?

The InChIKey is HAEZREFEQBBMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F4N8O3S2/c1-12(2)19(35)33-7-5-32(6-8-33)16-13-9-28-17(18-29-30-20(38-18)22(24,25)26)34(13)10-14(15(16)23)39(36,37)31-21(11-27)3-4-21/h9-10,12,31H,3-8H2,1-2H3.

What are the key properties of N-(1-cyanocyclopropyl)-7-fluoro-8-[4-(2-methylpropanoyl)piperazin-1-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide?

N-(1-cyanocyclopropyl)-7-fluoro-8-[4-(2-methylpropanoyl)piperazin-1-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide has a molecular weight of 586.60 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyanocyclopropyl)-7-fluoro-8-[4-(2-methylpropanoyl)piperazin-1-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide is sourced from PubChem (CID 170566968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).