4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)pyrazolo[1,5-a]pyridin-4-yl]oxymethyl]-5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine

C22H20F3N7O4S2 — CID 153363279

About 4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)pyrazolo[1,5-a]pyridin-4-yl]oxymethyl]-5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine

4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)pyrazolo[1,5-a]pyridin-4-yl]oxymethyl]-5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine (PubChem CID 153363279) has the molecular formula C22H20F3N7O4S2 and a molecular weight of 567.58 g/mol. Its IUPAC name is 4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)pyrazolo[1,5-a]pyridin-4-yl]oxymethyl]-5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

• Compound Name: 4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)pyrazolo[1,5-a]pyridin-4-yl]oxymethyl]-5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine
• PubChem CID: 153363279
• Molecular Formula: C22H20F3N7O4S2
• Molecular Weight: 567.58 g/mol
• Exact Mass: 567.10
• IUPAC Name: 4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)pyrazolo[1,5-a]pyridin-4-yl]oxymethyl]-5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine
• SMILES: COc1cc(OCc2nc(N3CCOCC3)sc2C(F)(F)F)c2cc(-c3cn4nc(OC)sc4n3)nn2c1
• InChI: InChI=1S/C22H20F3N7O4S2/c1-33-12-7-17(36-11-15-18(22(23,24)25)37-19(27-15)30-3-5-35-6-4-30)16-8-13(28-31(16)9-12)14-10-32-20(26-14)38-21(29-32)34-2/h7-10H,3-6,11H2,1-2H3
• InChIKey: JERVUMWRZPYRNR-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 100.54 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.58
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)pyrazolo[1,5-a]pyridin-4-yl]oxymethyl]-5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine?

The IUPAC name of 4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)pyrazolo[1,5-a]pyridin-4-yl]oxymethyl]-5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine (CID 153363279) is 4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)pyrazolo[1,5-a]pyridin-4-yl]oxymethyl]-5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine.

What is the SMILES notation for 4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)pyrazolo[1,5-a]pyridin-4-yl]oxymethyl]-5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine?

The canonical SMILES for 4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)pyrazolo[1,5-a]pyridin-4-yl]oxymethyl]-5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine is COc1cc(OCc2nc(N3CCOCC3)sc2C(F)(F)F)c2cc(-c3cn4nc(OC)sc4n3)nn2c1.

What is the InChIKey of 4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)pyrazolo[1,5-a]pyridin-4-yl]oxymethyl]-5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine?

The InChIKey is JERVUMWRZPYRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N7O4S2/c1-33-12-7-17(36-11-15-18(22(23,24)25)37-19(27-15)30-3-5-35-6-4-30)16-8-13(28-31(16)9-12)14-10-32-20(26-14)38-21(29-32)34-2/h7-10H,3-6,11H2,1-2H3.

What are the key properties of 4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)pyrazolo[1,5-a]pyridin-4-yl]oxymethyl]-5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine?

4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)pyrazolo[1,5-a]pyridin-4-yl]oxymethyl]-5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 567.58 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)pyrazolo[1,5-a]pyridin-4-yl]oxymethyl]-5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 153363279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).