6-chloro-N-[[4-[2-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide

C24H26ClF3N4O3S — CID 154612484

About 6-chloro-N-[[4-[2-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide

6-chloro-N-[[4-[2-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 154612484) has the molecular formula C24H26ClF3N4O3S and a molecular weight of 543.01 g/mol. Its IUPAC name is 6-chloro-N-[[4-[2-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[[4-[2-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 154612484
• Molecular Formula: C24H26ClF3N4O3S
• Molecular Weight: 543.01 g/mol
• Exact Mass: 542.14
• IUPAC Name: 6-chloro-N-[[4-[2-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CC3(C2)CN(S(O)(O)C(F)(F)F)C3)cc1
• InChI: InChI=1S/C24H26ClF3N4O3S/c1-2-19-21(32-12-18(25)7-8-20(32)30-19)22(33)29-11-15-3-5-16(6-4-15)17-9-23(10-17)13-31(14-23)36(34,35)24(26,27)28/h3-8,12,17,34-35H,2,9-11,13-14H2,1H3,(H,29,33)
• InChIKey: AZMMRSNFHCIDAJ-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 90.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.01
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-[2-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 6-chloro-N-[[4-[2-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide (CID 154612484) is 6-chloro-N-[[4-[2-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-chloro-N-[[4-[2-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 6-chloro-N-[[4-[2-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CC3(C2)CN(S(O)(O)C(F)(F)F)C3)cc1.

What is the InChIKey of 6-chloro-N-[[4-[2-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is AZMMRSNFHCIDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF3N4O3S/c1-2-19-21(32-12-18(25)7-8-20(32)30-19)22(33)29-11-15-3-5-16(6-4-15)17-9-23(10-17)13-31(14-23)36(34,35)24(26,27)28/h3-8,12,17,34-35H,2,9-11,13-14H2,1H3,(H,29,33).

What are the key properties of 6-chloro-N-[[4-[2-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?

6-chloro-N-[[4-[2-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 543.01 g/mol, XLogP of 5.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[[4-[2-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 154612484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).