8-[(3R,4R)-4-hydroxy-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(1-methoxycyclopropyl)-N-(1-methylcyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-6-sulfonamide

C27H33F3N6O5S2 — CID 178144226

About 8-[(3R,4R)-4-hydroxy-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(1-methoxycyclopropyl)-N-(1-methylcyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-6-sulfonamide

8-[(3R,4R)-4-hydroxy-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(1-methoxycyclopropyl)-N-(1-methylcyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-6-sulfonamide (PubChem CID 178144226) has the molecular formula C27H33F3N6O5S2 and a molecular weight of 642.73 g/mol. Its IUPAC name is 8-[(3R,4R)-4-hydroxy-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(1-methoxycyclopropyl)-N-(1-methylcyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-6-sulfonamide.

Molecular Properties

• Compound Name: 8-[(3R,4R)-4-hydroxy-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(1-methoxycyclopropyl)-N-(1-methylcyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-6-sulfonamide
• PubChem CID: 178144226
• Molecular Formula: C27H33F3N6O5S2
• Molecular Weight: 642.73 g/mol
• Exact Mass: 642.19
• IUPAC Name: 8-[(3R,4R)-4-hydroxy-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(1-methoxycyclopropyl)-N-(1-methylcyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-6-sulfonamide
• SMILES: COC1(c2nc3c(N4CCC5(CC4)CO[C@H](C)[C@@H]5O)cc(S(=O)(=O)NC4(C)CC4)cn3c2-c2nnc(C(F)(F)F)s2)CC1
• InChI: InChI=1S/C27H33F3N6O5S2/c1-15-20(37)25(14-41-15)8-10-35(11-9-25)17-12-16(43(38,39)34-24(2)4-5-24)13-36-18(22-32-33-23(42-22)27(28,29)30)19(31-21(17)36)26(40-3)6-7-26/h12-13,15,20,34,37H,4-11,14H2,1-3H3/t15-,20+/m1/s1
• InChIKey: VQTRQRJVLKPBAR-QRWLVFNGSA-N
• XLogP: 3.70
• TPSA: 131.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.73
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 8-[(3R,4R)-4-hydroxy-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(1-methoxycyclopropyl)-N-(1-methylcyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-6-sulfonamide?

The IUPAC name of 8-[(3R,4R)-4-hydroxy-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(1-methoxycyclopropyl)-N-(1-methylcyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-6-sulfonamide (CID 178144226) is 8-[(3R,4R)-4-hydroxy-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(1-methoxycyclopropyl)-N-(1-methylcyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-6-sulfonamide.

What is the SMILES notation for 8-[(3R,4R)-4-hydroxy-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(1-methoxycyclopropyl)-N-(1-methylcyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-6-sulfonamide?

The canonical SMILES for 8-[(3R,4R)-4-hydroxy-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(1-methoxycyclopropyl)-N-(1-methylcyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-6-sulfonamide is COC1(c2nc3c(N4CCC5(CC4)CO[C@H](C)[C@@H]5O)cc(S(=O)(=O)NC4(C)CC4)cn3c2-c2nnc(C(F)(F)F)s2)CC1.

What is the InChIKey of 8-[(3R,4R)-4-hydroxy-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(1-methoxycyclopropyl)-N-(1-methylcyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-6-sulfonamide?

The InChIKey is VQTRQRJVLKPBAR-QRWLVFNGSA-N. The full InChI is InChI=1S/C27H33F3N6O5S2/c1-15-20(37)25(14-41-15)8-10-35(11-9-25)17-12-16(43(38,39)34-24(2)4-5-24)13-36-18(22-32-33-23(42-22)27(28,29)30)19(31-21(17)36)26(40-3)6-7-26/h12-13,15,20,34,37H,4-11,14H2,1-3H3/t15-,20+/m1/s1.

What are the key properties of 8-[(3R,4R)-4-hydroxy-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(1-methoxycyclopropyl)-N-(1-methylcyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-6-sulfonamide?

8-[(3R,4R)-4-hydroxy-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(1-methoxycyclopropyl)-N-(1-methylcyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-6-sulfonamide has a molecular weight of 642.73 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(3R,4R)-4-hydroxy-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(1-methoxycyclopropyl)-N-(1-methylcyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-6-sulfonamide is sourced from PubChem (CID 178144226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).