1-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(2-methylpropanoyl)piperazin-1-yl]imidazo[1,5-a]pyridine-6-sulfonamide

C25H28ClFN8O3S2 — CID 177049690

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

1-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(2-methylpropanoyl)piperazin-1-yl]imidazo[1,5-a]pyridine-6-sulfonamide (PubChem CID 177049690) has the molecular formula C25H28ClFN8O3S2 and a molecular weight of 607.14 g/mol. Its IUPAC name is 1-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(2-methylpropanoyl)piperazin-1-yl]imidazo[1,5-a]pyridine-6-sulfonamide.

Molecular Properties

• Compound Name: 1-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(2-methylpropanoyl)piperazin-1-yl]imidazo[1,5-a]pyridine-6-sulfonamide
• PubChem CID: 177049690
• Molecular Formula: C25H28ClFN8O3S2
• Molecular Weight: 607.14 g/mol
• Exact Mass: 606.14
• IUPAC Name: 1-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(2-methylpropanoyl)piperazin-1-yl]imidazo[1,5-a]pyridine-6-sulfonamide
• SMILES: CC(C)C(=O)N1CCN(c2cc(S(=O)(=O)NC3(CF)CC3)cn3c(-c4nnc(C5(C#N)CC5)s4)nc(Cl)c23)CC1
• InChI: InChI=1S/C25H28ClFN8O3S2/c1-15(2)22(36)34-9-7-33(8-10-34)17-11-16(40(37,38)32-25(13-27)5-6-25)12-35-18(17)19(26)29-20(35)21-30-31-23(39-21)24(14-28)3-4-24/h11-12,15,32H,3-10,13H2,1-2H3
• InChIKey: LRGKWBNEJWCABD-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 136.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.14
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 1-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(2-methylpropanoyl)piperazin-1-yl]imidazo[1,5-a]pyridine-6-sulfonamide (CID 177049690) is 1-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(2-methylpropanoyl)piperazin-1-yl]imidazo[1,5-a]pyridine-6-sulfonamide.

What is the SMILES notation for 1-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(2-methylpropanoyl)piperazin-1-yl]imidazo[1,5-a]pyridine-6-sulfonamide?

The canonical SMILES for 1-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(2-methylpropanoyl)piperazin-1-yl]imidazo[1,5-a]pyridine-6-sulfonamide is CC(C)C(=O)N1CCN(c2cc(S(=O)(=O)NC3(CF)CC3)cn3c(-c4nnc(C5(C#N)CC5)s4)nc(Cl)c23)CC1.

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

The InChIKey is LRGKWBNEJWCABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClFN8O3S2/c1-15(2)22(36)34-9-7-33(8-10-34)17-11-16(40(37,38)32-25(13-27)5-6-25)12-35-18(17)19(26)29-20(35)21-30-31-23(39-21)24(14-28)3-4-24/h11-12,15,32H,3-10,13H2,1-2H3.

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

1-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(2-methylpropanoyl)piperazin-1-yl]imidazo[1,5-a]pyridine-6-sulfonamide has a molecular weight of 607.14 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(2-methylpropanoyl)piperazin-1-yl]imidazo[1,5-a]pyridine-6-sulfonamide is sourced from PubChem (CID 177049690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).