N-[4-[3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-6-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]imidazo[1,5-a]pyridin-8-yl]-1-oxo-1,4-thiazinan-1-ylidene]acetamide

C23H25FN8O4S3 — CID 177049734

About N-[4-[3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-6-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]imidazo[1,5-a]pyridin-8-yl]-1-oxo-1,4-thiazinan-1-ylidene]acetamide

N-[4-[3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-6-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]imidazo[1,5-a]pyridin-8-yl]-1-oxo-1,4-thiazinan-1-ylidene]acetamide (PubChem CID 177049734) has the molecular formula C23H25FN8O4S3 and a molecular weight of 592.70 g/mol. Its IUPAC name is N-[4-[3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-6-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]imidazo[1,5-a]pyridin-8-yl]-1-oxo-1,4-thiazinan-1-ylidene]acetamide.

Molecular Properties

• Compound Name: N-[4-[3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-6-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]imidazo[1,5-a]pyridin-8-yl]-1-oxo-1,4-thiazinan-1-ylidene]acetamide
• PubChem CID: 177049734
• Molecular Formula: C23H25FN8O4S3
• Molecular Weight: 592.70 g/mol
• Exact Mass: 592.11
• IUPAC Name: N-[4-[3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-6-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]imidazo[1,5-a]pyridin-8-yl]-1-oxo-1,4-thiazinan-1-ylidene]acetamide
• SMILES: CC(=O)N=S1(=O)CCN(c2cc(S(=O)(=O)NC3(CF)CC3)cn3c(-c4nnc(C5(C#N)CC5)s4)ncc23)CC1
• InChI: InChI=1S/C23H25FN8O4S3/c1-15(33)29-38(34)8-6-31(7-9-38)17-10-16(39(35,36)30-23(13-24)4-5-23)12-32-18(17)11-26-19(32)20-27-28-21(37-20)22(14-25)2-3-22/h10-12,30H,2-9,13H2,1H3
• InChIKey: PJDMBOBCINMHKZ-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 162.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.70
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-6-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]imidazo[1,5-a]pyridin-8-yl]-1-oxo-1,4-thiazinan-1-ylidene]acetamide?

The IUPAC name of N-[4-[3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-6-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]imidazo[1,5-a]pyridin-8-yl]-1-oxo-1,4-thiazinan-1-ylidene]acetamide (CID 177049734) is N-[4-[3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-6-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]imidazo[1,5-a]pyridin-8-yl]-1-oxo-1,4-thiazinan-1-ylidene]acetamide.

What is the SMILES notation for N-[4-[3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-6-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]imidazo[1,5-a]pyridin-8-yl]-1-oxo-1,4-thiazinan-1-ylidene]acetamide?

The canonical SMILES for N-[4-[3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-6-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]imidazo[1,5-a]pyridin-8-yl]-1-oxo-1,4-thiazinan-1-ylidene]acetamide is CC(=O)N=S1(=O)CCN(c2cc(S(=O)(=O)NC3(CF)CC3)cn3c(-c4nnc(C5(C#N)CC5)s4)ncc23)CC1.

What is the InChIKey of N-[4-[3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-6-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]imidazo[1,5-a]pyridin-8-yl]-1-oxo-1,4-thiazinan-1-ylidene]acetamide?

The InChIKey is PJDMBOBCINMHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN8O4S3/c1-15(33)29-38(34)8-6-31(7-9-38)17-10-16(39(35,36)30-23(13-24)4-5-23)12-32-18(17)11-26-19(32)20-27-28-21(37-20)22(14-25)2-3-22/h10-12,30H,2-9,13H2,1H3.

What are the key properties of N-[4-[3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-6-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]imidazo[1,5-a]pyridin-8-yl]-1-oxo-1,4-thiazinan-1-ylidene]acetamide?

N-[4-[3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-6-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]imidazo[1,5-a]pyridin-8-yl]-1-oxo-1,4-thiazinan-1-ylidene]acetamide has a molecular weight of 592.70 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-6-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]imidazo[1,5-a]pyridin-8-yl]-1-oxo-1,4-thiazinan-1-ylidene]acetamide is sourced from PubChem (CID 177049734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).