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

C26H30F2N6O4S2 — CID 178144460

IUPAC2-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
SMILESC[C@H]1OCC2(CCN(c3cc(S(=O)(=O)NC4(C)CC4)cn4c(-c5nnc(C(F)F)s5)c(C5CC5)nc34)CC2)C1=O
InChIInChI=1S/C26H30F2N6O4S2/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/h11-12,14-15,21,32H,3-10,13H2,1-2H3/t14-/m1/s1
InChIKeyWIFANYZQNQLROB-CQSZACIVSA-N
MW592.69 g/mol
LogP4.07
Rot. Bonds7

About 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

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 (PubChem CID 178144460) has the molecular formula C26H30F2N6O4S2 and a molecular weight of 592.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID178144460
Molecular FormulaC26H30F2N6O4S2
Molecular Weight592.69 g/mol
Exact Mass592.17
IUPAC Name2-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
SMILESC[C@H]1OCC2(CCN(c3cc(S(=O)(=O)NC4(C)CC4)cn4c(-c5nnc(C(F)F)s5)c(C5CC5)nc34)CC2)C1=O
InChIInChI=1S/C26H30F2N6O4S2/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/h11-12,14-15,21,32H,3-10,13H2,1-2H3/t14-/m1/s1
InChIKeyWIFANYZQNQLROB-CQSZACIVSA-N
XLogP4.07
TPSA118.79 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.69
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 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-[(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
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
(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
(2S,6S)-N'-cyano-4-[3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-[(1-methylcyclopropyl)sulfamoyl]imidazo[1,5-a]pyridin-8-yl]-N,N,2,6-tetramethylpiperazine-1-carboximidamide
CID 178118086

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H]1OCC2(CCN(c3cc(S(=O)(=O)NC4(C)CC4)cn4c(-c5nnc(C(F)F)s5)c(C5CC5)nc34)CC2)C1=O.
What is the InChIKey of 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?
The InChIKey is WIFANYZQNQLROB-CQSZACIVSA-N. The full InChI is InChI=1S/C26H30F2N6O4S2/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/h11-12,14-15,21,32H,3-10,13H2,1-2H3/t14-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 592.69 g/mol, XLogP of 4.07, 7 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-[(3R)-3-methyl-4-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-6-sulfonamide is sourced from PubChem (CID 178144460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).