7-amino-5-(2-methoxyethoxy)-6-(2-sulfanylidene-1H-pyridin-3-yl)-1H-indole-2-carboxylic acid

C17H17N3O4S — CID 147127527

IUPAC7-amino-5-(2-methoxyethoxy)-6-(2-sulfanylidene-1H-pyridin-3-yl)-1H-indole-2-carboxylic acid
SMILESCOCCOc1cc2cc(C(=O)O)[nH]c2c(N)c1-c1ccc[nH]c1=S
InChIInChI=1S/C17H17N3O4S/c1-23-5-6-24-12-8-9-7-11(17(21)22)20-15(9)14(18)13(12)10-3-2-4-19-16(10)25/h2-4,7-8,20H,5-6,18H2,1H3,(H,19,25)(H,21,22)
InChIKeyBPOLEKHEENZYCQ-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.20
Rot. Bonds6

About 7-amino-5-(2-methoxyethoxy)-6-(2-sulfanylidene-1H-pyridin-3-yl)-1H-indole-2-carboxylic acid

7-amino-5-(2-methoxyethoxy)-6-(2-sulfanylidene-1H-pyridin-3-yl)-1H-indole-2-carboxylic acid (PubChem CID 147127527) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 7-amino-5-(2-methoxyethoxy)-6-(2-sulfanylidene-1H-pyridin-3-yl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name7-amino-5-(2-methoxyethoxy)-6-(2-sulfanylidene-1H-pyridin-3-yl)-1H-indole-2-carboxylic acid
PubChem CID147127527
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name7-amino-5-(2-methoxyethoxy)-6-(2-sulfanylidene-1H-pyridin-3-yl)-1H-indole-2-carboxylic acid
SMILESCOCCOc1cc2cc(C(=O)O)[nH]c2c(N)c1-c1ccc[nH]c1=S
InChIInChI=1S/C17H17N3O4S/c1-23-5-6-24-12-8-9-7-11(17(21)22)20-15(9)14(18)13(12)10-3-2-4-19-16(10)25/h2-4,7-8,20H,5-6,18H2,1H3,(H,19,25)(H,21,22)
InChIKeyBPOLEKHEENZYCQ-UHFFFAOYSA-N
XLogP3.20
TPSA113.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 7-amino-5-(2-methoxyethoxy)-6-(2-sulfanylidene-1H-pyridin-3-yl)-1H-indole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-methoxyethoxy)-4-oxo-1H-1,10-phenanthroline-2-carboxylic acid
CID 67589711
[3-[2-carboxy-5-methoxy-7-(methylamino)-1H-indol-6-yl]-2-pyridinyl]sulfanium
CID 143661049
5,7-dimethoxy-1H-indole-2-carboxylic acid
CID 7131354
3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazine-2-thione
CID 106521522
2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid
CID 104564090
3-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid
CID 104564096
4-(2-carboxy-5-hydroxy-1H-indol-7-yl)-5-methoxy-1H-indole-2-carboxylic acid
CID 166764984
7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1H-indole-5-carboxylic acid
CID 122501542
2-(2-aminophenyl)-4-(2-methoxyethoxy)benzene-1,3-diamine
CID 174469442
ethane;2-sulfanylidene-1H-pyridine-3-carboxylic acid
CID 91103055
2-[2-(2-methoxyethoxy)phenyl]-5-methylbenzoic acid
CID 104660750
4-[2-(2-methoxyethoxy)phenyl]-3-methylbenzoic acid
CID 104660748

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(2-methoxyethoxy)-6-(2-sulfanylidene-1H-pyridin-3-yl)-1H-indole-2-carboxylic acid?
The IUPAC name of 7-amino-5-(2-methoxyethoxy)-6-(2-sulfanylidene-1H-pyridin-3-yl)-1H-indole-2-carboxylic acid (CID 147127527) is 7-amino-5-(2-methoxyethoxy)-6-(2-sulfanylidene-1H-pyridin-3-yl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 7-amino-5-(2-methoxyethoxy)-6-(2-sulfanylidene-1H-pyridin-3-yl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 7-amino-5-(2-methoxyethoxy)-6-(2-sulfanylidene-1H-pyridin-3-yl)-1H-indole-2-carboxylic acid is COCCOc1cc2cc(C(=O)O)[nH]c2c(N)c1-c1ccc[nH]c1=S.
What is the InChIKey of 7-amino-5-(2-methoxyethoxy)-6-(2-sulfanylidene-1H-pyridin-3-yl)-1H-indole-2-carboxylic acid?
The InChIKey is BPOLEKHEENZYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-23-5-6-24-12-8-9-7-11(17(21)22)20-15(9)14(18)13(12)10-3-2-4-19-16(10)25/h2-4,7-8,20H,5-6,18H2,1H3,(H,19,25)(H,21,22).
What are the key properties of 7-amino-5-(2-methoxyethoxy)-6-(2-sulfanylidene-1H-pyridin-3-yl)-1H-indole-2-carboxylic acid?
7-amino-5-(2-methoxyethoxy)-6-(2-sulfanylidene-1H-pyridin-3-yl)-1H-indole-2-carboxylic acid has a molecular weight of 359.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(2-methoxyethoxy)-6-(2-sulfanylidene-1H-pyridin-3-yl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 147127527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).