5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2-methoxypyridine-3-carboxylic acid

C22H15N3O3S — CID 59024029

IUPAC5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2-methoxypyridine-3-carboxylic acid
SMILESCOc1ncc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)cc1C(=O)O
InChIInChI=1S/C22H15N3O3S/c1-28-21-17(22(26)27)8-14(10-23-21)13-6-15-11-24-25-20(15)16(7-13)19-9-12-4-2-3-5-18(12)29-19/h2-11H,1H3,(H,24,25)(H,26,27)
InChIKeyVLCONIDNQSMCHI-UHFFFAOYSA-N
MW401.45 g/mol
LogP5.21
Rot. Bonds4

About 5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2-methoxypyridine-3-carboxylic acid

5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2-methoxypyridine-3-carboxylic acid (PubChem CID 59024029) has the molecular formula C22H15N3O3S and a molecular weight of 401.45 g/mol. Its IUPAC name is 5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2-methoxypyridine-3-carboxylic acid
PubChem CID59024029
Molecular FormulaC22H15N3O3S
Molecular Weight401.45 g/mol
Exact Mass401.08
IUPAC Name5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2-methoxypyridine-3-carboxylic acid
SMILESCOc1ncc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)cc1C(=O)O
InChIInChI=1S/C22H15N3O3S/c1-28-21-17(22(26)27)8-14(10-23-21)13-6-15-11-24-25-20(15)16(7-13)19-9-12-4-2-3-5-18(12)29-19/h2-11H,1H3,(H,24,25)(H,26,27)
InChIKeyVLCONIDNQSMCHI-UHFFFAOYSA-N
XLogP5.21
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.45
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2-methoxypyridine-3-carboxylic acid?
The IUPAC name of 5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2-methoxypyridine-3-carboxylic acid (CID 59024029) is 5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2-methoxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2-methoxypyridine-3-carboxylic acid is COc1ncc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)cc1C(=O)O.
What is the InChIKey of 5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2-methoxypyridine-3-carboxylic acid?
The InChIKey is VLCONIDNQSMCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O3S/c1-28-21-17(22(26)27)8-14(10-23-21)13-6-15-11-24-25-20(15)16(7-13)19-9-12-4-2-3-5-18(12)29-19/h2-11H,1H3,(H,24,25)(H,26,27).
What are the key properties of 5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2-methoxypyridine-3-carboxylic acid?
5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2-methoxypyridine-3-carboxylic acid has a molecular weight of 401.45 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 59024029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).