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

C14H7BrClF3N6O2S2 — CID 170566886

IUPAC1-bromo-8-chloro-N-(1-cyanocyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide
SMILESN#CC1(NS(=O)(=O)c2cc(Cl)c3c(Br)nc(-c4nnc(C(F)(F)F)s4)n3c2)CC1
InChIInChI=1S/C14H7BrClF3N6O2S2/c15-9-8-7(16)3-6(29(26,27)24-13(5-20)1-2-13)4-25(8)10(21-9)11-22-23-12(28-11)14(17,18)19/h3-4,24H,1-2H2
InChIKeyNQHCXQBRFHZXQJ-UHFFFAOYSA-N
MW527.74 g/mol
LogP3.62
Rot. Bonds4

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

1-bromo-8-chloro-N-(1-cyanocyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide (PubChem CID 170566886) has the molecular formula C14H7BrClF3N6O2S2 and a molecular weight of 527.74 g/mol. Its IUPAC name is 1-bromo-8-chloro-N-(1-cyanocyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide.

Molecular Properties

Compound Name1-bromo-8-chloro-N-(1-cyanocyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide
PubChem CID170566886
Molecular FormulaC14H7BrClF3N6O2S2
Molecular Weight527.74 g/mol
Exact Mass525.89
IUPAC Name1-bromo-8-chloro-N-(1-cyanocyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide
SMILESN#CC1(NS(=O)(=O)c2cc(Cl)c3c(Br)nc(-c4nnc(C(F)(F)F)s4)n3c2)CC1
InChIInChI=1S/C14H7BrClF3N6O2S2/c15-9-8-7(16)3-6(29(26,27)24-13(5-20)1-2-13)4-25(8)10(21-9)11-22-23-12(28-11)14(17,18)19/h3-4,24H,1-2H2
InChIKeyNQHCXQBRFHZXQJ-UHFFFAOYSA-N
XLogP3.62
TPSA113.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.74
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-bromo-8-chloro-N-(1-cyanocyclopropyl)-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

Frequently Asked Questions

What is the IUPAC name of 1-bromo-8-chloro-N-(1-cyanocyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide?
The IUPAC name of 1-bromo-8-chloro-N-(1-cyanocyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide (CID 170566886) is 1-bromo-8-chloro-N-(1-cyanocyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide.
What is the SMILES notation for 1-bromo-8-chloro-N-(1-cyanocyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide?
The canonical SMILES for 1-bromo-8-chloro-N-(1-cyanocyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide is N#CC1(NS(=O)(=O)c2cc(Cl)c3c(Br)nc(-c4nnc(C(F)(F)F)s4)n3c2)CC1.
What is the InChIKey of 1-bromo-8-chloro-N-(1-cyanocyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide?
The InChIKey is NQHCXQBRFHZXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClF3N6O2S2/c15-9-8-7(16)3-6(29(26,27)24-13(5-20)1-2-13)4-25(8)10(21-9)11-22-23-12(28-11)14(17,18)19/h3-4,24H,1-2H2.
What are the key properties of 1-bromo-8-chloro-N-(1-cyanocyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide?
1-bromo-8-chloro-N-(1-cyanocyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide has a molecular weight of 527.74 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-chloro-N-(1-cyanocyclopropyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazo[1,5-a]pyridine-6-sulfonamide is sourced from PubChem (CID 170566886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).