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

C24H29F3N8O3S2 — CID 176881913

IUPAC8-[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
SMILES[2H]CN1CCC[C@H]1C(=O)N1CCN(c2cc(S(=O)(=O)NC3(C)CC3)cn3c(-c4nnc(C(F)(F)F)s4)ncc23)CC1
InChIInChI=1S/C24H29F3N8O3S2/c1-23(5-6-23)31-40(37,38)15-12-17(33-8-10-34(11-9-33)21(36)16-4-3-7-32(16)2)18-13-28-19(35(18)14-15)20-29-30-22(39-20)24(25,26)27/h12-14,16,31H,3-11H2,1-2H3/t16-/m0/s1/i2D
InChIKeyKVRWEEVAQGYDIZ-GEOJWQAQSA-N
MW599.68 g/mol
LogP2.45
Rot. Bonds7

About 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

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 (PubChem CID 176881913) has the molecular formula C24H29F3N8O3S2 and a molecular weight of 599.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[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
PubChem CID176881913
Molecular FormulaC24H29F3N8O3S2
Molecular Weight599.68 g/mol
Exact Mass599.18
IUPAC Name8-[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
SMILES[2H]CN1CCC[C@H]1C(=O)N1CCN(c2cc(S(=O)(=O)NC3(C)CC3)cn3c(-c4nnc(C(F)(F)F)s4)ncc23)CC1
InChIInChI=1S/C24H29F3N8O3S2/c1-23(5-6-23)31-40(37,38)15-12-17(33-8-10-34(11-9-33)21(36)16-4-3-7-32(16)2)18-13-28-19(35(18)14-15)20-29-30-22(39-20)24(25,26)27/h12-14,16,31H,3-11H2,1-2H3/t16-/m0/s1/i2D
InChIKeyKVRWEEVAQGYDIZ-GEOJWQAQSA-N
XLogP2.45
TPSA116.04 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.68
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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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
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
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
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
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
4-[3-[5-(1-cyanocyclopropyl)-1,3,4-thiadiazol-2-yl]-6-[(1-methylcyclopropyl)sulfamoyl]imidazo[1,2-a]pyridin-8-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 177049345
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]CN1CCC[C@H]1C(=O)N1CCN(c2cc(S(=O)(=O)NC3(C)CC3)cn3c(-c4nnc(C(F)(F)F)s4)ncc23)CC1.
What is the InChIKey of 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?
The InChIKey is KVRWEEVAQGYDIZ-GEOJWQAQSA-N. The full InChI is InChI=1S/C24H29F3N8O3S2/c1-23(5-6-23)31-40(37,38)15-12-17(33-8-10-34(11-9-33)21(36)16-4-3-7-32(16)2)18-13-28-19(35(18)14-15)20-29-30-22(39-20)24(25,26)27/h12-14,16,31H,3-11H2,1-2H3/t16-/m0/s1/i2D.
What are the key properties of 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?
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 has a molecular weight of 599.68 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176881913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).