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

C29H38F2N6O4S2 — CID 178144792

IUPAC2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-8-[(3S)-3-methyl-4-propan-2-yloxy-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-6-sulfonamide
SMILESCC(C)OC1[C@H](C)OCC12CCN(c1cc(S(=O)(=O)NC3(C)CC3)cn3c(-c4nnc(C(F)F)s4)c(C4CC4)nc13)CC2
InChIInChI=1S/C29H38F2N6O4S2/c1-16(2)41-23-17(3)40-15-29(23)9-11-36(12-10-29)20-13-19(43(38,39)35-28(4)7-8-28)14-37-22(21(18-5-6-18)32-25(20)37)26-33-34-27(42-26)24(30)31/h13-14,16-18,23-24,35H,5-12,15H2,1-4H3/t17-,23?/m0/s1
InChIKeyQAMGSBRPUVTKAB-NVHKAFQKSA-N
MW636.79 g/mol
LogP5.30
Rot. Bonds9

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

2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-8-[(3S)-3-methyl-4-propan-2-yloxy-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-6-sulfonamide (PubChem CID 178144792) has the molecular formula C29H38F2N6O4S2 and a molecular weight of 636.79 g/mol. Its IUPAC name is 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-8-[(3S)-3-methyl-4-propan-2-yloxy-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-6-sulfonamide.

Molecular Properties

Compound Name2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-8-[(3S)-3-methyl-4-propan-2-yloxy-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-6-sulfonamide
PubChem CID178144792
Molecular FormulaC29H38F2N6O4S2
Molecular Weight636.79 g/mol
Exact Mass636.24
IUPAC Name2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-8-[(3S)-3-methyl-4-propan-2-yloxy-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-6-sulfonamide
SMILESCC(C)OC1[C@H](C)OCC12CCN(c1cc(S(=O)(=O)NC3(C)CC3)cn3c(-c4nnc(C(F)F)s4)c(C4CC4)nc13)CC2
InChIInChI=1S/C29H38F2N6O4S2/c1-16(2)41-23-17(3)40-15-29(23)9-11-36(12-10-29)20-13-19(43(38,39)35-28(4)7-8-28)14-37-22(21(18-5-6-18)32-25(20)37)26-33-34-27(42-26)24(30)31/h13-14,16-18,23-24,35H,5-12,15H2,1-4H3/t17-,23?/m0/s1
InChIKeyQAMGSBRPUVTKAB-NVHKAFQKSA-N
XLogP5.30
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.79
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Related Compounds

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
2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-8-[(3R)-3-methyl-4-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-6-sulfonamide
CID 178144460
2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(5R)-5-(hydroxymethyl)-3,3-dimethylpiperazin-1-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide
CID 178144796
8-[(5S)-5-(azetidine-1-carbonyl)-3,3-dimethylpiperazin-1-yl]-2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide
CID 178144811
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-fluoro-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide
CID 178144776
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
tert-butyl 2-[[3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-(methylamino)-6-[(1-methylcyclopropyl)sulfamoyl]imidazo[1,5-a]pyridin-1-yl]methyl]-3,3,3-trifluoropropanoate
CID 178165155
2-[[3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-(methylamino)-6-[(1-methylcyclopropyl)sulfamoyl]imidazo[1,5-a]pyridin-1-yl]methyl]-3,3,3-trifluoropropanoic acid
CID 178165125
2-cyclopropyl-7-[(3R)-4-[(2R)-2-cyclopropylpropanoyl]-3-methylpiperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridine-5-sulfonamide
CID 178144498
(2S,6S)-4-[3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-[(1-methylcyclopropyl)sulfamoyl]imidazo[1,5-a]pyridin-8-yl]-N-[2-(dimethylamino)ethyl]-N,2,6-trimethylpiperazine-1-carboxamide
CID 178118153
1-bromo-8-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[1-(trideuteriomethyl)cyclopropyl]imidazo[1,5-a]pyridine-6-sulfonamide
CID 170700073
(2S,6S)-4-[3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-[(1-methylcyclopropyl)sulfamoyl]imidazo[1,5-a]pyridin-8-yl]-N,2,6-trimethyl-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 178118093

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-8-[(3S)-3-methyl-4-propan-2-yloxy-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-6-sulfonamide?
The IUPAC name of 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-8-[(3S)-3-methyl-4-propan-2-yloxy-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-6-sulfonamide (CID 178144792) is 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-8-[(3S)-3-methyl-4-propan-2-yloxy-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-6-sulfonamide.
What is the SMILES notation for 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-8-[(3S)-3-methyl-4-propan-2-yloxy-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-6-sulfonamide?
The canonical SMILES for 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-8-[(3S)-3-methyl-4-propan-2-yloxy-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-6-sulfonamide is CC(C)OC1[C@H](C)OCC12CCN(c1cc(S(=O)(=O)NC3(C)CC3)cn3c(-c4nnc(C(F)F)s4)c(C4CC4)nc13)CC2.
What is the InChIKey of 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-8-[(3S)-3-methyl-4-propan-2-yloxy-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-6-sulfonamide?
The InChIKey is QAMGSBRPUVTKAB-NVHKAFQKSA-N. The full InChI is InChI=1S/C29H38F2N6O4S2/c1-16(2)41-23-17(3)40-15-29(23)9-11-36(12-10-29)20-13-19(43(38,39)35-28(4)7-8-28)14-37-22(21(18-5-6-18)32-25(20)37)26-33-34-27(42-26)24(30)31/h13-14,16-18,23-24,35H,5-12,15H2,1-4H3/t17-,23?/m0/s1.
What are the key properties of 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-8-[(3S)-3-methyl-4-propan-2-yloxy-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-6-sulfonamide?
2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-8-[(3S)-3-methyl-4-propan-2-yloxy-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-6-sulfonamide has a molecular weight of 636.79 g/mol, XLogP of 5.30, 9 rotatable bonds, 1 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]-N-(1-methylcyclopropyl)-8-[(3S)-3-methyl-4-propan-2-yloxy-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-6-sulfonamide is sourced from PubChem (CID 178144792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).