1-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-8-[1-[2-(oxetan-2-yl)acetyl]piperidin-4-yl]imidazo[1,5-a]pyridine-6-sulfonamide

C27H30ClN7O4S2 — CID 177049406

About 1-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-8-[1-[2-(oxetan-2-yl)acetyl]piperidin-4-yl]imidazo[1,5-a]pyridine-6-sulfonamide

1-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-8-[1-[2-(oxetan-2-yl)acetyl]piperidin-4-yl]imidazo[1,5-a]pyridine-6-sulfonamide (PubChem CID 177049406) has the molecular formula C27H30ClN7O4S2 and a molecular weight of 616.17 g/mol. Its IUPAC name is 1-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-8-[1-[2-(oxetan-2-yl)acetyl]piperidin-4-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-methylcyclopropyl)-8-[1-[2-(oxetan-2-yl)acetyl]piperidin-4-yl]imidazo[1,5-a]pyridine-6-sulfonamide
• PubChem CID: 177049406
• Molecular Formula: C27H30ClN7O4S2
• Molecular Weight: 616.17 g/mol
• Exact Mass: 615.15
• IUPAC Name: 1-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-8-[1-[2-(oxetan-2-yl)acetyl]piperidin-4-yl]imidazo[1,5-a]pyridine-6-sulfonamide
• SMILES: CC1(NS(=O)(=O)c2cc(C3CCN(C(=O)CC4CCO4)CC3)c3c(Cl)nc(-c4nnc(C5(C#N)CC5)s4)n3c2)CC1
• InChI: InChI=1S/C27H30ClN7O4S2/c1-26(5-6-26)33-41(37,38)18-13-19(16-2-9-34(10-3-16)20(36)12-17-4-11-39-17)21-22(28)30-23(35(21)14-18)24-31-32-25(40-24)27(15-29)7-8-27/h13-14,16-17,33H,2-12H2,1H3
• InChIKey: PBBIUXPORGGZFK-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 142.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	616.17
LogP ≤ 5	3.78
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-methylcyclopropyl)-8-[1-[2-(oxetan-2-yl)acetyl]piperidin-4-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-methylcyclopropyl)-8-[1-[2-(oxetan-2-yl)acetyl]piperidin-4-yl]imidazo[1,5-a]pyridine-6-sulfonamide (CID 177049406) is 1-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-8-[1-[2-(oxetan-2-yl)acetyl]piperidin-4-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-methylcyclopropyl)-8-[1-[2-(oxetan-2-yl)acetyl]piperidin-4-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-methylcyclopropyl)-8-[1-[2-(oxetan-2-yl)acetyl]piperidin-4-yl]imidazo[1,5-a]pyridine-6-sulfonamide is CC1(NS(=O)(=O)c2cc(C3CCN(C(=O)CC4CCO4)CC3)c3c(Cl)nc(-c4nnc(C5(C#N)CC5)s4)n3c2)CC1.

What is the InChIKey of 1-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-8-[1-[2-(oxetan-2-yl)acetyl]piperidin-4-yl]imidazo[1,5-a]pyridine-6-sulfonamide?

The InChIKey is PBBIUXPORGGZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN7O4S2/c1-26(5-6-26)33-41(37,38)18-13-19(16-2-9-34(10-3-16)20(36)12-17-4-11-39-17)21-22(28)30-23(35(21)14-18)24-31-32-25(40-24)27(15-29)7-8-27/h13-14,16-17,33H,2-12H2,1H3.

What are the key properties of 1-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-8-[1-[2-(oxetan-2-yl)acetyl]piperidin-4-yl]imidazo[1,5-a]pyridine-6-sulfonamide?

1-chloro-3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-8-[1-[2-(oxetan-2-yl)acetyl]piperidin-4-yl]imidazo[1,5-a]pyridine-6-sulfonamide has a molecular weight of 616.17 g/mol, XLogP of 3.78, 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-methylcyclopropyl)-8-[1-[2-(oxetan-2-yl)acetyl]piperidin-4-yl]imidazo[1,5-a]pyridine-6-sulfonamide is sourced from PubChem (CID 177049406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).