methyl 5-[[3-(1,2λ2-azastannol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxylate

C16H13N5O2SSn — CID 143756363

IUPACmethyl 5-[[3-(1,2λ2-azastannol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1csc(Nc2nc(C)cn3c(C4=C[Sn]N=C4)cnc23)c1
InChIInChI=1S/C16H13N5O2S.Sn/c1-9(5-17)12-6-18-15-14(19-10(2)7-21(12)15)20-13-4-11(8-24-13)16(22)23-3;/h1,4-8H,2-3H3,(H,19,20);/q-1;+1
InChIKeyQKGUJEWGPRLYII-UHFFFAOYSA-N
MW458.09 g/mol
LogP2.67
Rot. Bonds4

About methyl 5-[[3-(1,2λ2-azastannol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxylate

methyl 5-[[3-(1,2λ2-azastannol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxylate (PubChem CID 143756363) has the molecular formula C16H13N5O2SSn and a molecular weight of 458.09 g/mol. Its IUPAC name is methyl 5-[[3-(1,2λ2-azastannol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[3-(1,2λ2-azastannol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxylate
PubChem CID143756363
Molecular FormulaC16H13N5O2SSn
Molecular Weight458.09 g/mol
Exact Mass458.98
IUPAC Namemethyl 5-[[3-(1,2λ2-azastannol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1csc(Nc2nc(C)cn3c(C4=C[Sn]N=C4)cnc23)c1
InChIInChI=1S/C16H13N5O2S.Sn/c1-9(5-17)12-6-18-15-14(19-10(2)7-21(12)15)20-13-4-11(8-24-13)16(22)23-3;/h1,4-8H,2-3H3,(H,19,20);/q-1;+1
InChIKeyQKGUJEWGPRLYII-UHFFFAOYSA-N
XLogP2.67
TPSA80.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.09
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carboxylate;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol
CID 158132089
[5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]-pyrrolidin-1-ylmethanone
CID 59503537
N-[2-(dimethylamino)ethyl]-N-ethyl-5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxamide
CID 59503776
N',N'-dimethyl-N-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]methyl]ethane-1,2-diamine
CID 59503636
3-(2-methyl-1,5-dihydropyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide
CID 143465275
3-[(3,3-difluoroazetidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;2,2,2-trifluoroacetic acid
CID 53324537
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-amine
CID 71044775
methyl 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate
CID 118167941
N-[6-bromo-3-(1,6-dihydropyridazin-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
CID 143460943
3-[dideuterio(piperidin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 50994742
3-(2-butylhexyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 143756478
N-methyl-2-[[2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetyl]amino]acetamide
CID 59503535

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-(1,2λ2-azastannol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 5-[[3-(1,2λ2-azastannol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxylate (CID 143756363) is methyl 5-[[3-(1,2λ2-azastannol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-[[3-(1,2λ2-azastannol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 5-[[3-(1,2λ2-azastannol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxylate is COC(=O)c1csc(Nc2nc(C)cn3c(C4=C[Sn]N=C4)cnc23)c1.
What is the InChIKey of methyl 5-[[3-(1,2λ2-azastannol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxylate?
The InChIKey is QKGUJEWGPRLYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S.Sn/c1-9(5-17)12-6-18-15-14(19-10(2)7-21(12)15)20-13-4-11(8-24-13)16(22)23-3;/h1,4-8H,2-3H3,(H,19,20);/q-1;+1.
What are the key properties of methyl 5-[[3-(1,2λ2-azastannol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxylate?
methyl 5-[[3-(1,2λ2-azastannol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxylate has a molecular weight of 458.09 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[3-(1,2λ2-azastannol-4-yl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 143756363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).