3-[1-[(2E,7Z)-5,6-dihydro-4H-1λ2-stannocin-2-yl]imidazo[1,5-a]pyrazin-6-yl]-2,4-difluoroaniline

C19H16F2N4Sn — CID 164594325

IUPAC3-[1-[(2E,7Z)-5,6-dihydro-4H-1λ2-stannocin-2-yl]imidazo[1,5-a]pyrazin-6-yl]-2,4-difluoroaniline
SMILESNc1ccc(F)c(-c2cn3cnc(/C4=C/CCC/C=C\[Sn]4)c3cn2)c1F
InChIInChI=1S/C19H16F2N4.Sn/c1-2-3-4-5-6-7-15-17-10-23-16(11-25(17)12-24-15)18-13(20)8-9-14(22)19(18)21;/h1-2,6,8-12H,3-5,22H2;
InChIKeyLMJVWUGAISWJRQ-UHFFFAOYSA-N
MW457.07 g/mol
LogP4.00
Rot. Bonds2

About 3-[1-[(2E,7Z)-5,6-dihydro-4H-1λ2-stannocin-2-yl]imidazo[1,5-a]pyrazin-6-yl]-2,4-difluoroaniline

3-[1-[(2E,7Z)-5,6-dihydro-4H-1λ2-stannocin-2-yl]imidazo[1,5-a]pyrazin-6-yl]-2,4-difluoroaniline (PubChem CID 164594325) has the molecular formula C19H16F2N4Sn and a molecular weight of 457.07 g/mol. Its IUPAC name is 3-[1-[(2E,7Z)-5,6-dihydro-4H-1λ2-stannocin-2-yl]imidazo[1,5-a]pyrazin-6-yl]-2,4-difluoroaniline.

Molecular Properties

Compound Name3-[1-[(2E,7Z)-5,6-dihydro-4H-1λ2-stannocin-2-yl]imidazo[1,5-a]pyrazin-6-yl]-2,4-difluoroaniline
PubChem CID164594325
Molecular FormulaC19H16F2N4Sn
Molecular Weight457.07 g/mol
Exact Mass458.04
IUPAC Name3-[1-[(2E,7Z)-5,6-dihydro-4H-1λ2-stannocin-2-yl]imidazo[1,5-a]pyrazin-6-yl]-2,4-difluoroaniline
SMILESNc1ccc(F)c(-c2cn3cnc(/C4=C/CCC/C=C\[Sn]4)c3cn2)c1F
InChIInChI=1S/C19H16F2N4.Sn/c1-2-3-4-5-6-7-15-17-10-23-16(11-25(17)12-24-15)18-13(20)8-9-14(22)19(18)21;/h1-2,6,8-12H,3-5,22H2;
InChIKeyLMJVWUGAISWJRQ-UHFFFAOYSA-N
XLogP4.00
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.07
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-3-(1-iodoimidazo[1,5-a]pyrazin-6-yl)aniline
CID 164594670
4-chloro-2-fluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]aniline
CID 164593949
2,4-difluoro-3-(1-methylimidazo[1,5-a]pyridin-6-yl)aniline
CID 164594272
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
methyl 6-(3-amino-2,6-difluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 164593825
6-(2-fluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-2-amine
CID 164605810
2,4-difluoro-3-(1,3-oxazol-2-yl)aniline
CID 79773703
2,4-difluoro-3-[1-[6-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]aniline
CID 164594054
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]imidazo[1,5-a]pyrazine-1-carboxylic acid
CID 164594009
3-fluorobenzene-1,2,4-triamine
CID 89010456
2,4-difluoro-3-(2-methylquinazolin-6-yl)aniline
CID 156832887

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2E,7Z)-5,6-dihydro-4H-1λ2-stannocin-2-yl]imidazo[1,5-a]pyrazin-6-yl]-2,4-difluoroaniline?
The IUPAC name of 3-[1-[(2E,7Z)-5,6-dihydro-4H-1λ2-stannocin-2-yl]imidazo[1,5-a]pyrazin-6-yl]-2,4-difluoroaniline (CID 164594325) is 3-[1-[(2E,7Z)-5,6-dihydro-4H-1λ2-stannocin-2-yl]imidazo[1,5-a]pyrazin-6-yl]-2,4-difluoroaniline.
What is the SMILES notation for 3-[1-[(2E,7Z)-5,6-dihydro-4H-1λ2-stannocin-2-yl]imidazo[1,5-a]pyrazin-6-yl]-2,4-difluoroaniline?
The canonical SMILES for 3-[1-[(2E,7Z)-5,6-dihydro-4H-1λ2-stannocin-2-yl]imidazo[1,5-a]pyrazin-6-yl]-2,4-difluoroaniline is Nc1ccc(F)c(-c2cn3cnc(/C4=C/CCC/C=C\[Sn]4)c3cn2)c1F.
What is the InChIKey of 3-[1-[(2E,7Z)-5,6-dihydro-4H-1λ2-stannocin-2-yl]imidazo[1,5-a]pyrazin-6-yl]-2,4-difluoroaniline?
The InChIKey is LMJVWUGAISWJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4.Sn/c1-2-3-4-5-6-7-15-17-10-23-16(11-25(17)12-24-15)18-13(20)8-9-14(22)19(18)21;/h1-2,6,8-12H,3-5,22H2;.
What are the key properties of 3-[1-[(2E,7Z)-5,6-dihydro-4H-1λ2-stannocin-2-yl]imidazo[1,5-a]pyrazin-6-yl]-2,4-difluoroaniline?
3-[1-[(2E,7Z)-5,6-dihydro-4H-1λ2-stannocin-2-yl]imidazo[1,5-a]pyrazin-6-yl]-2,4-difluoroaniline has a molecular weight of 457.07 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2E,7Z)-5,6-dihydro-4H-1λ2-stannocin-2-yl]imidazo[1,5-a]pyrazin-6-yl]-2,4-difluoroaniline is sourced from PubChem (CID 164594325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).