4-chloro-2-fluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]aniline

C15H10ClFN6 — CID 164593949

IUPAC4-chloro-2-fluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]aniline
SMILESNc1ccc(Cl)c(-c2cn3cnc(-c4ncc[nH]4)c3cn2)c1F
InChIInChI=1S/C15H10ClFN6/c16-8-1-2-9(18)13(17)12(8)10-6-23-7-22-14(11(23)5-21-10)15-19-3-4-20-15/h1-7H,18H2,(H,19,20)
InChIKeyYDPAUCWAILYRKV-UHFFFAOYSA-N
MW328.74 g/mol
LogP3.16
Rot. Bonds2

About 4-chloro-2-fluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]aniline

4-chloro-2-fluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]aniline (PubChem CID 164593949) has the molecular formula C15H10ClFN6 and a molecular weight of 328.74 g/mol. Its IUPAC name is 4-chloro-2-fluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]aniline.

Molecular Properties

Compound Name4-chloro-2-fluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]aniline
PubChem CID164593949
Molecular FormulaC15H10ClFN6
Molecular Weight328.74 g/mol
Exact Mass328.06
IUPAC Name4-chloro-2-fluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]aniline
SMILESNc1ccc(Cl)c(-c2cn3cnc(-c4ncc[nH]4)c3cn2)c1F
InChIInChI=1S/C15H10ClFN6/c16-8-1-2-9(18)13(17)12(8)10-6-23-7-22-14(11(23)5-21-10)15-19-3-4-20-15/h1-7H,18H2,(H,19,20)
InChIKeyYDPAUCWAILYRKV-UHFFFAOYSA-N
XLogP3.16
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.74
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-(3-amino-6-chloro-2-fluorophenyl)imidazo[1,5-a]pyrazine-1-carboxylate
CID 164594263
1-[6-(3-amino-6-chloro-2-fluorophenyl)imidazo[1,5-a]pyrazin-1-yl]ethanone;butane
CID 164594138
2,4-difluoro-3-(1-iodoimidazo[1,5-a]pyrazin-6-yl)aniline
CID 164594670
3-[1-[(2E,7Z)-5,6-dihydro-4H-1λ2-stannocin-2-yl]imidazo[1,5-a]pyrazin-6-yl]-2,4-difluoroaniline
CID 164594325
4-chloro-2-(1H-imidazol-2-yl)aniline
CID 55254071
2,4-difluoro-3-(1-methylimidazo[1,5-a]pyridin-6-yl)aniline
CID 164594272
2-(2,3,5,6-tetrafluorophenyl)-1H-imidazole
CID 83402165
3-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine;1,3,5-trifluoro-2,4,6-triiodobenzene
CID 139050437
2-(2,5-dichlorophenyl)-1H-imidazole
CID 67618991
2-(1H-imidazol-2-yl)imidazo[1,2-a]pyridine
CID 122163818
tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
CID 20805474
5-chloro-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 164593691

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]aniline?
The IUPAC name of 4-chloro-2-fluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]aniline (CID 164593949) is 4-chloro-2-fluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]aniline.
What is the SMILES notation for 4-chloro-2-fluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]aniline?
The canonical SMILES for 4-chloro-2-fluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]aniline is Nc1ccc(Cl)c(-c2cn3cnc(-c4ncc[nH]4)c3cn2)c1F.
What is the InChIKey of 4-chloro-2-fluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]aniline?
The InChIKey is YDPAUCWAILYRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN6/c16-8-1-2-9(18)13(17)12(8)10-6-23-7-22-14(11(23)5-21-10)15-19-3-4-20-15/h1-7H,18H2,(H,19,20).
What are the key properties of 4-chloro-2-fluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]aniline?
4-chloro-2-fluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]aniline has a molecular weight of 328.74 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]aniline is sourced from PubChem (CID 164593949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).