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

C21H26F3N7O5S3 — CID 178144376

IUPACN-(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
SMILESCC(C)S(=O)(=O)N1CCN(c2cc(S(=O)(=O)NC3(C)COC3)cn3c(-c4nnc(C(F)(F)F)s4)ncc23)CC1
InChIInChI=1S/C21H26F3N7O5S3/c1-13(2)39(34,35)30-6-4-29(5-7-30)15-8-14(38(32,33)28-20(3)11-36-12-20)10-31-16(15)9-25-17(31)18-26-27-19(37-18)21(22,23)24/h8-10,13,28H,4-7,11-12H2,1-3H3
InChIKeyYQEHZUQYQXXRIR-UHFFFAOYSA-N
MW609.68 g/mol
LogP1.80
Rot. Bonds7

About 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

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 (PubChem CID 178144376) has the molecular formula C21H26F3N7O5S3 and a molecular weight of 609.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID178144376
Molecular FormulaC21H26F3N7O5S3
Molecular Weight609.68 g/mol
Exact Mass609.11
IUPAC NameN-(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
SMILESCC(C)S(=O)(=O)N1CCN(c2cc(S(=O)(=O)NC3(C)COC3)cn3c(-c4nnc(C(F)(F)F)s4)ncc23)CC1
InChIInChI=1S/C21H26F3N7O5S3/c1-13(2)39(34,35)30-6-4-29(5-7-30)15-8-14(38(32,33)28-20(3)11-36-12-20)10-31-16(15)9-25-17(31)18-26-27-19(37-18)21(22,23)24/h8-10,13,28H,4-7,11-12H2,1-3H3
InChIKeyYQEHZUQYQXXRIR-UHFFFAOYSA-N
XLogP1.80
TPSA139.10 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.68
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
8-[4-[(2S)-1-(deuteriomethyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N-(1-methylcyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide
CID 176881913
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
(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
N-(1-cyanocyclopropyl)-7-fluoro-8-[4-(2-methylpropanoyl)piperazin-1-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide
CID 170566968
(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
2-[1-[4-[6-[(1-cyanocyclopropyl)sulfamoyl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridin-8-yl]piperazine-1-carbonyl]cyclopropyl]oxyacetic acid
CID 170567031
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
3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-8-[4-fluoro-1-(2-methylpropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide
CID 177049677
N-[4-[3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-6-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]imidazo[1,5-a]pyridin-8-yl]-1-oxo-1,4-thiazinan-1-ylidene]acetamide
CID 177049734
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1,2-dimethylcyclopropyl)-8-(dipropylamino)imidazo[1,5-a]pyridine-6-sulfonamide
CID 177147439
3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-8-[4-(3-fluoroazetidine-1-carbonyl)piperazin-1-yl]-N-[1-(fluoromethyl)cyclopropyl]imidazo[1,5-a]pyridine-6-sulfonamide
CID 177049498

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)S(=O)(=O)N1CCN(c2cc(S(=O)(=O)NC3(C)COC3)cn3c(-c4nnc(C(F)(F)F)s4)ncc23)CC1.
What is the InChIKey of 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?
The InChIKey is YQEHZUQYQXXRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N7O5S3/c1-13(2)39(34,35)30-6-4-29(5-7-30)15-8-14(38(32,33)28-20(3)11-36-12-20)10-31-16(15)9-25-17(31)18-26-27-19(37-18)21(22,23)24/h8-10,13,28H,4-7,11-12H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 609.68 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178144376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).