methyl 2-[2-(6-methoxypyridine-3-carbonyl)-5-methylthieno[2,3-b]pyrrol-6-yl]acetate

C17H16N2O4S — CID 50898910

IUPACmethyl 2-[2-(6-methoxypyridine-3-carbonyl)-5-methylthieno[2,3-b]pyrrol-6-yl]acetate
SMILESCOC(=O)Cn1c(C)cc2cc(C(=O)c3ccc(OC)nc3)sc21
InChIInChI=1S/C17H16N2O4S/c1-10-6-12-7-13(24-17(12)19(10)9-15(20)23-3)16(21)11-4-5-14(22-2)18-8-11/h4-8H,9H2,1-3H3
InChIKeyNDCVYKRJKFAKGF-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.82
Rot. Bonds5

About methyl 2-[2-(6-methoxypyridine-3-carbonyl)-5-methylthieno[2,3-b]pyrrol-6-yl]acetate

methyl 2-[2-(6-methoxypyridine-3-carbonyl)-5-methylthieno[2,3-b]pyrrol-6-yl]acetate (PubChem CID 50898910) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is methyl 2-[2-(6-methoxypyridine-3-carbonyl)-5-methylthieno[2,3-b]pyrrol-6-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(6-methoxypyridine-3-carbonyl)-5-methylthieno[2,3-b]pyrrol-6-yl]acetate
PubChem CID50898910
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Namemethyl 2-[2-(6-methoxypyridine-3-carbonyl)-5-methylthieno[2,3-b]pyrrol-6-yl]acetate
SMILESCOC(=O)Cn1c(C)cc2cc(C(=O)c3ccc(OC)nc3)sc21
InChIInChI=1S/C17H16N2O4S/c1-10-6-12-7-13(24-17(12)19(10)9-15(20)23-3)16(21)11-4-5-14(22-2)18-8-11/h4-8H,9H2,1-3H3
InChIKeyNDCVYKRJKFAKGF-UHFFFAOYSA-N
XLogP2.82
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(6-methoxypyridine-3-carbonyl)-5-methylthieno[2,3-b]pyrrol-6-yl]acetate?
The IUPAC name of methyl 2-[2-(6-methoxypyridine-3-carbonyl)-5-methylthieno[2,3-b]pyrrol-6-yl]acetate (CID 50898910) is methyl 2-[2-(6-methoxypyridine-3-carbonyl)-5-methylthieno[2,3-b]pyrrol-6-yl]acetate.
What is the SMILES notation for methyl 2-[2-(6-methoxypyridine-3-carbonyl)-5-methylthieno[2,3-b]pyrrol-6-yl]acetate?
The canonical SMILES for methyl 2-[2-(6-methoxypyridine-3-carbonyl)-5-methylthieno[2,3-b]pyrrol-6-yl]acetate is COC(=O)Cn1c(C)cc2cc(C(=O)c3ccc(OC)nc3)sc21.
What is the InChIKey of methyl 2-[2-(6-methoxypyridine-3-carbonyl)-5-methylthieno[2,3-b]pyrrol-6-yl]acetate?
The InChIKey is NDCVYKRJKFAKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-10-6-12-7-13(24-17(12)19(10)9-15(20)23-3)16(21)11-4-5-14(22-2)18-8-11/h4-8H,9H2,1-3H3.
What are the key properties of methyl 2-[2-(6-methoxypyridine-3-carbonyl)-5-methylthieno[2,3-b]pyrrol-6-yl]acetate?
methyl 2-[2-(6-methoxypyridine-3-carbonyl)-5-methylthieno[2,3-b]pyrrol-6-yl]acetate has a molecular weight of 344.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(6-methoxypyridine-3-carbonyl)-5-methylthieno[2,3-b]pyrrol-6-yl]acetate is sourced from PubChem (CID 50898910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).