[2-(benzhydrylideneamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

C24H21FN4OS — CID 143854093

IUPAC[2-(benzhydrylideneamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESCC(C)(C)C(=O)c1cn(SF)c2ncc(N=C(c3ccccc3)c3ccccc3)nc12
InChIInChI=1S/C24H21FN4OS/c1-24(2,3)22(30)18-15-29(31-25)23-21(18)28-19(14-26-23)27-20(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15H,1-3H3
InChIKeyUFGSYCPTIBOXRF-UHFFFAOYSA-N
MW432.52 g/mol
LogP6.21
Rot. Bonds5

About [2-(benzhydrylideneamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

[2-(benzhydrylideneamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (PubChem CID 143854093) has the molecular formula C24H21FN4OS and a molecular weight of 432.52 g/mol. Its IUPAC name is [2-(benzhydrylideneamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.

Molecular Properties

Compound Name[2-(benzhydrylideneamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
PubChem CID143854093
Molecular FormulaC24H21FN4OS
Molecular Weight432.52 g/mol
Exact Mass432.14
IUPAC Name[2-(benzhydrylideneamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESCC(C)(C)C(=O)c1cn(SF)c2ncc(N=C(c3ccccc3)c3ccccc3)nc12
InChIInChI=1S/C24H21FN4OS/c1-24(2,3)22(30)18-15-29(31-25)23-21(18)28-19(14-26-23)27-20(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15H,1-3H3
InChIKeyUFGSYCPTIBOXRF-UHFFFAOYSA-N
XLogP6.21
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [2-(benzhydrylideneamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite 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

(E)-2-cyano-3-[4-[[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]phenyl]-N,N-dimethylprop-2-enamide
CID 71014325
Aminoimidazo[1,2-a]pyridine deriv. 17
CID 5330619
(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-[[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]-methylamino]pyrazin-2-yl]methanone
CID 56926599
3,3-dimethyl-3,4-dihydrobenzimidazo[2,1-b]quinazolin-1(2H)-one
CID 666060
[4-(4-Phenethyl-piperazin-1-yl)-6,7,8,9-tetrahydro-pyrimido[4,5-b]indolizin-10-yl]-phenyl-methanone
CID 10004696
4-Fluoro-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide
CID 10551723
3-[4-(2-Methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide
CID 10670617
N-[2-[4-(dimethylsulfamoylamino)phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 24784579
[4-(8-Amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]phenylmethanone
CID 44539284
(1-((1-Methyl-1H-imidazol-2-yl)methyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 45486235
2-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766920
4-[6-[(4-fluoro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 90157287

Frequently Asked Questions

What is the IUPAC name of [2-(benzhydrylideneamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The IUPAC name of [2-(benzhydrylideneamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (CID 143854093) is [2-(benzhydrylideneamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.
What is the SMILES notation for [2-(benzhydrylideneamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The canonical SMILES for [2-(benzhydrylideneamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is CC(C)(C)C(=O)c1cn(SF)c2ncc(N=C(c3ccccc3)c3ccccc3)nc12.
What is the InChIKey of [2-(benzhydrylideneamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The InChIKey is UFGSYCPTIBOXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4OS/c1-24(2,3)22(30)18-15-29(31-25)23-21(18)28-19(14-26-23)27-20(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15H,1-3H3.
What are the key properties of [2-(benzhydrylideneamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
[2-(benzhydrylideneamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite has a molecular weight of 432.52 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzhydrylideneamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is sourced from PubChem (CID 143854093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).