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

C26H32F2N6O4S2 — CID 178144509

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

2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,4S)-4-hydroxy-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide (PubChem CID 178144509) has the molecular formula C26H32F2N6O4S2 and a molecular weight of 594.71 g/mol. Its IUPAC name is 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,4S)-4-hydroxy-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,4S)-4-hydroxy-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide
• PubChem CID: 178144509
• Molecular Formula: C26H32F2N6O4S2
• Molecular Weight: 594.71 g/mol
• Exact Mass: 594.19
• IUPAC Name: 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,4S)-4-hydroxy-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide
• SMILES: C[C@@H]1OCC2(CCN(c3cc(S(=O)(=O)NC4(C)CC4)cn4c(-c5nnc(C(F)F)s5)c(C5CC5)nc34)CC2)[C@@H]1O
• InChI: InChI=1S/C26H32F2N6O4S2/c1-14-20(35)26(13-38-14)7-9-33(10-8-26)17-11-16(40(36,37)32-25(2)5-6-25)12-34-19(18(15-3-4-15)29-22(17)34)23-30-31-24(39-23)21(27)28/h11-12,14-15,20-21,32,35H,3-10,13H2,1-2H3/t14-,20+/m0/s1
• InChIKey: DJTVTBKGJWLLGM-VBKZILBWSA-N
• XLogP: 3.86
• TPSA: 121.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	594.71
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,4S)-4-hydroxy-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide (CID 178144509) is 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,4S)-4-hydroxy-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide.

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

The canonical SMILES for 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,4S)-4-hydroxy-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide is C[C@@H]1OCC2(CCN(c3cc(S(=O)(=O)NC4(C)CC4)cn4c(-c5nnc(C(F)F)s5)c(C5CC5)nc34)CC2)[C@@H]1O.

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

The InChIKey is DJTVTBKGJWLLGM-VBKZILBWSA-N. The full InChI is InChI=1S/C26H32F2N6O4S2/c1-14-20(35)26(13-38-14)7-9-33(10-8-26)17-11-16(40(36,37)32-25(2)5-6-25)12-34-19(18(15-3-4-15)29-22(17)34)23-30-31-24(39-23)21(27)28/h11-12,14-15,20-21,32,35H,3-10,13H2,1-2H3/t14-,20+/m0/s1.

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

2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,4S)-4-hydroxy-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide has a molecular weight of 594.71 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,4S)-4-hydroxy-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide is sourced from PubChem (CID 178144509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).