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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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).