8-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(3-methyloxetan-3-yl)imidazo[1,5-a]pyridine-6-sulfonamide

C14H12ClF2N5O3S2 — CID 175970735

IUPAC8-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(3-methyloxetan-3-yl)imidazo[1,5-a]pyridine-6-sulfonamide
SMILESCC1(NS(=O)(=O)c2cc(Cl)c3cnc(-c4nnc(C(F)F)s4)n3c2)COC1
InChIInChI=1S/C14H12ClF2N5O3S2/c1-14(5-25-6-14)21-27(23,24)7-2-8(15)9-3-18-11(22(9)4-7)13-20-19-12(26-13)10(16)17/h2-4,10,21H,5-6H2,1H3
InChIKeyYAOQUMVGOKOPOC-UHFFFAOYSA-N
MW435.87 g/mol
LogP2.51
Rot. Bonds5

About 8-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(3-methyloxetan-3-yl)imidazo[1,5-a]pyridine-6-sulfonamide

8-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(3-methyloxetan-3-yl)imidazo[1,5-a]pyridine-6-sulfonamide (PubChem CID 175970735) has the molecular formula C14H12ClF2N5O3S2 and a molecular weight of 435.87 g/mol. Its IUPAC name is 8-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(3-methyloxetan-3-yl)imidazo[1,5-a]pyridine-6-sulfonamide.

Molecular Properties

Compound Name8-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(3-methyloxetan-3-yl)imidazo[1,5-a]pyridine-6-sulfonamide
PubChem CID175970735
Molecular FormulaC14H12ClF2N5O3S2
Molecular Weight435.87 g/mol
Exact Mass435.00
IUPAC Name8-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(3-methyloxetan-3-yl)imidazo[1,5-a]pyridine-6-sulfonamide
SMILESCC1(NS(=O)(=O)c2cc(Cl)c3cnc(-c4nnc(C(F)F)s4)n3c2)COC1
InChIInChI=1S/C14H12ClF2N5O3S2/c1-14(5-25-6-14)21-27(23,24)7-2-8(15)9-3-18-11(22(9)4-7)13-20-19-12(26-13)10(16)17/h2-4,10,21H,5-6H2,1H3
InChIKeyYAOQUMVGOKOPOC-UHFFFAOYSA-N
XLogP2.51
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.87
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

8-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-isocyanocyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide
CID 176725837
N-(3-methyloxetan-3-yl)-8-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide
CID 178144376
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
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1,2-dimethylcyclopropyl)-8-(dipropylamino)imidazo[1,5-a]pyridine-6-sulfonamide
CID 177147439
(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
(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
1-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[4-[2-(dimethylamino)ethylsulfonimidoyl]phenyl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide
CID 178118227
N-(1-methylcyclopropyl)-8-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide
CID 178144223
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
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
tert-butyl 3-[1-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-[(1-methylcyclopropyl)sulfamoyl]imidazo[1,5-a]pyridin-8-yl]-8-aza-3-azoniabicyclo[3.2.1]oct-2-ene-8-carboxylate
CID 176725864

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(3-methyloxetan-3-yl)imidazo[1,5-a]pyridine-6-sulfonamide?
The IUPAC name of 8-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(3-methyloxetan-3-yl)imidazo[1,5-a]pyridine-6-sulfonamide (CID 175970735) is 8-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(3-methyloxetan-3-yl)imidazo[1,5-a]pyridine-6-sulfonamide.
What is the SMILES notation for 8-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(3-methyloxetan-3-yl)imidazo[1,5-a]pyridine-6-sulfonamide?
The canonical SMILES for 8-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(3-methyloxetan-3-yl)imidazo[1,5-a]pyridine-6-sulfonamide is CC1(NS(=O)(=O)c2cc(Cl)c3cnc(-c4nnc(C(F)F)s4)n3c2)COC1.
What is the InChIKey of 8-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(3-methyloxetan-3-yl)imidazo[1,5-a]pyridine-6-sulfonamide?
The InChIKey is YAOQUMVGOKOPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N5O3S2/c1-14(5-25-6-14)21-27(23,24)7-2-8(15)9-3-18-11(22(9)4-7)13-20-19-12(26-13)10(16)17/h2-4,10,21H,5-6H2,1H3.
What are the key properties of 8-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(3-methyloxetan-3-yl)imidazo[1,5-a]pyridine-6-sulfonamide?
8-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(3-methyloxetan-3-yl)imidazo[1,5-a]pyridine-6-sulfonamide has a molecular weight of 435.87 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(3-methyloxetan-3-yl)imidazo[1,5-a]pyridine-6-sulfonamide is sourced from PubChem (CID 175970735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).