methyl 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate

C18H18N2O4S — CID 143876557

IUPACmethyl 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate
SMILESCCOc1cc(Oc2ccc(SC)nc2)cc2cc(C(=O)OC)[nH]c12
InChIInChI=1S/C18H18N2O4S/c1-4-23-15-9-13(24-12-5-6-16(25-3)19-10-12)7-11-8-14(18(21)22-2)20-17(11)15/h5-10,20H,4H2,1-3H3
InChIKeyGFZKUONWCVFILE-UHFFFAOYSA-N
MW358.42 g/mol
LogP4.26
Rot. Bonds6

About methyl 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate

methyl 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate (PubChem CID 143876557) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is methyl 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate
PubChem CID143876557
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Namemethyl 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate
SMILESCCOc1cc(Oc2ccc(SC)nc2)cc2cc(C(=O)OC)[nH]c12
InChIInChI=1S/C18H18N2O4S/c1-4-23-15-9-13(24-12-5-6-16(25-3)19-10-12)7-11-8-14(18(21)22-2)20-17(11)15/h5-10,20H,4H2,1-3H3
InChIKeyGFZKUONWCVFILE-UHFFFAOYSA-N
XLogP4.26
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate with MolForge

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Related Compounds

7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid
CID 143876568
methyl 7-methoxy-5-[(6-methyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate
CID 58237066
5-[(6-methyl-3-pyridinyl)oxy]-7-pentan-3-yloxy-1H-indole-2-carboxylic acid;sulfur dioxide
CID 123940236
ethyl 5-(4-methylphenoxy)-7-propan-2-yloxy-1H-indole-2-carboxylate;sulfur dioxide
CID 157325314
7-hydroxy-5-[(6-methyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid
CID 58237078
methyl 4-ethoxy-5-methyl-1H-pyrrole-2-carboxylate
CID 10797537
methyl 2,4-bis(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate
CID 169443489
ethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate
CID 19042831
7-(1,3-dimethoxypropan-2-yloxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carbothioamide
CID 86652843
methyl 6-methylsulfanylpyridine-3-carboxylate
CID 901959
7-(1-methoxypropan-2-yloxy)-5-(4-methylsulfanylphenoxy)-1H-indole-2-carboxylic acid
CID 143876574
ethyl 5-amino-7-methoxy-1H-indole-2-carboxylate
CID 15231750

Frequently Asked Questions

What is the IUPAC name of methyl 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate?
The IUPAC name of methyl 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate (CID 143876557) is methyl 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate?
The canonical SMILES for methyl 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate is CCOc1cc(Oc2ccc(SC)nc2)cc2cc(C(=O)OC)[nH]c12.
What is the InChIKey of methyl 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate?
The InChIKey is GFZKUONWCVFILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-4-23-15-9-13(24-12-5-6-16(25-3)19-10-12)7-11-8-14(18(21)22-2)20-17(11)15/h5-10,20H,4H2,1-3H3.
What are the key properties of methyl 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate?
methyl 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate has a molecular weight of 358.42 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate is sourced from PubChem (CID 143876557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).