methyl 3-amino-6-(1H-indol-5-ylamino)thieno[3,2-b]pyridine-2-carboxylate

C17H14N4O2S — CID 50907059

IUPACmethyl 3-amino-6-(1H-indol-5-ylamino)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(Nc3ccc4[nH]ccc4c3)cnc2c1N
InChIInChI=1S/C17H14N4O2S/c1-23-17(22)16-14(18)15-13(24-16)7-11(8-20-15)21-10-2-3-12-9(6-10)4-5-19-12/h2-8,19,21H,18H2,1H3
InChIKeyLVAAYOOBJSPWHB-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.89
Rot. Bonds3

About methyl 3-amino-6-(1H-indol-5-ylamino)thieno[3,2-b]pyridine-2-carboxylate

methyl 3-amino-6-(1H-indol-5-ylamino)thieno[3,2-b]pyridine-2-carboxylate (PubChem CID 50907059) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is methyl 3-amino-6-(1H-indol-5-ylamino)thieno[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(1H-indol-5-ylamino)thieno[3,2-b]pyridine-2-carboxylate
PubChem CID50907059
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Namemethyl 3-amino-6-(1H-indol-5-ylamino)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(Nc3ccc4[nH]ccc4c3)cnc2c1N
InChIInChI=1S/C17H14N4O2S/c1-23-17(22)16-14(18)15-13(24-16)7-11(8-20-15)21-10-2-3-12-9(6-10)4-5-19-12/h2-8,19,21H,18H2,1H3
InChIKeyLVAAYOOBJSPWHB-UHFFFAOYSA-N
XLogP3.89
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(1H-indol-5-ylamino)thieno[3,2-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(1H-indol-5-ylamino)thieno[3,2-b]pyridine-2-carboxylate (CID 50907059) is methyl 3-amino-6-(1H-indol-5-ylamino)thieno[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(1H-indol-5-ylamino)thieno[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(1H-indol-5-ylamino)thieno[3,2-b]pyridine-2-carboxylate is COC(=O)c1sc2cc(Nc3ccc4[nH]ccc4c3)cnc2c1N.
What is the InChIKey of methyl 3-amino-6-(1H-indol-5-ylamino)thieno[3,2-b]pyridine-2-carboxylate?
The InChIKey is LVAAYOOBJSPWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-23-17(22)16-14(18)15-13(24-16)7-11(8-20-15)21-10-2-3-12-9(6-10)4-5-19-12/h2-8,19,21H,18H2,1H3.
What are the key properties of methyl 3-amino-6-(1H-indol-5-ylamino)thieno[3,2-b]pyridine-2-carboxylate?
methyl 3-amino-6-(1H-indol-5-ylamino)thieno[3,2-b]pyridine-2-carboxylate has a molecular weight of 338.39 g/mol, XLogP of 3.89, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(1H-indol-5-ylamino)thieno[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 50907059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).