4-[3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-[(1-methylcyclopropyl)amino]sulfanylimidazo[1,5-a]pyridin-8-yl]-N,2-dimethyl-N-propylpiperazine-1-carboxamide

C24H32F2N8OS2 — CID 178118174

About 4-[3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-[(1-methylcyclopropyl)amino]sulfanylimidazo[1,5-a]pyridin-8-yl]-N,2-dimethyl-N-propylpiperazine-1-carboxamide

4-[3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-[(1-methylcyclopropyl)amino]sulfanylimidazo[1,5-a]pyridin-8-yl]-N,2-dimethyl-N-propylpiperazine-1-carboxamide (PubChem CID 178118174) has the molecular formula C24H32F2N8OS2 and a molecular weight of 550.71 g/mol. Its IUPAC name is 4-[3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-[(1-methylcyclopropyl)amino]sulfanylimidazo[1,5-a]pyridin-8-yl]-N,2-dimethyl-N-propylpiperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-[(1-methylcyclopropyl)amino]sulfanylimidazo[1,5-a]pyridin-8-yl]-N,2-dimethyl-N-propylpiperazine-1-carboxamide
• PubChem CID: 178118174
• Molecular Formula: C24H32F2N8OS2
• Molecular Weight: 550.71 g/mol
• Exact Mass: 550.21
• IUPAC Name: 4-[3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-[(1-methylcyclopropyl)amino]sulfanylimidazo[1,5-a]pyridin-8-yl]-N,2-dimethyl-N-propylpiperazine-1-carboxamide
• SMILES: CCCN(C)C(=O)N1CCN(c2cc(SNC3(C)CC3)cn3c(-c4nnc(C(F)F)s4)ncc23)CC1C
• InChI: InChI=1S/C24H32F2N8OS2/c1-5-8-31(4)23(35)33-10-9-32(13-15(33)2)17-11-16(37-30-24(3)6-7-24)14-34-18(17)12-27-20(34)22-29-28-21(36-22)19(25)26/h11-12,14-15,19,30H,5-10,13H2,1-4H3
• InChIKey: QKYNPMTYVQFKHF-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 81.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.71
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-[(1-methylcyclopropyl)amino]sulfanylimidazo[1,5-a]pyridin-8-yl]-N,2-dimethyl-N-propylpiperazine-1-carboxamide?

The IUPAC name of 4-[3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-[(1-methylcyclopropyl)amino]sulfanylimidazo[1,5-a]pyridin-8-yl]-N,2-dimethyl-N-propylpiperazine-1-carboxamide (CID 178118174) is 4-[3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-[(1-methylcyclopropyl)amino]sulfanylimidazo[1,5-a]pyridin-8-yl]-N,2-dimethyl-N-propylpiperazine-1-carboxamide.

What is the SMILES notation for 4-[3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-[(1-methylcyclopropyl)amino]sulfanylimidazo[1,5-a]pyridin-8-yl]-N,2-dimethyl-N-propylpiperazine-1-carboxamide?

The canonical SMILES for 4-[3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-[(1-methylcyclopropyl)amino]sulfanylimidazo[1,5-a]pyridin-8-yl]-N,2-dimethyl-N-propylpiperazine-1-carboxamide is CCCN(C)C(=O)N1CCN(c2cc(SNC3(C)CC3)cn3c(-c4nnc(C(F)F)s4)ncc23)CC1C.

What is the InChIKey of 4-[3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-[(1-methylcyclopropyl)amino]sulfanylimidazo[1,5-a]pyridin-8-yl]-N,2-dimethyl-N-propylpiperazine-1-carboxamide?

The InChIKey is QKYNPMTYVQFKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2N8OS2/c1-5-8-31(4)23(35)33-10-9-32(13-15(33)2)17-11-16(37-30-24(3)6-7-24)14-34-18(17)12-27-20(34)22-29-28-21(36-22)19(25)26/h11-12,14-15,19,30H,5-10,13H2,1-4H3.

What are the key properties of 4-[3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-[(1-methylcyclopropyl)amino]sulfanylimidazo[1,5-a]pyridin-8-yl]-N,2-dimethyl-N-propylpiperazine-1-carboxamide?

4-[3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-[(1-methylcyclopropyl)amino]sulfanylimidazo[1,5-a]pyridin-8-yl]-N,2-dimethyl-N-propylpiperazine-1-carboxamide has a molecular weight of 550.71 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-[(1-methylcyclopropyl)amino]sulfanylimidazo[1,5-a]pyridin-8-yl]-N,2-dimethyl-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 178118174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).