2-[3-(6-methoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid

C17H12N4O3S — CID 59179869

IUPAC2-[3-(6-methoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2nn(-c3nc(C(=O)O)cs3)c3ccccc23)cn1
InChIInChI=1S/C17H12N4O3S/c1-24-14-7-6-10(8-18-14)15-11-4-2-3-5-13(11)21(20-15)17-19-12(9-25-17)16(22)23/h2-9H,1H3,(H,22,23)
InChIKeyLXLJLOFSUORICZ-UHFFFAOYSA-N
MW352.38 g/mol
LogP3.25
Rot. Bonds4

About 2-[3-(6-methoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid

2-[3-(6-methoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 59179869) has the molecular formula C17H12N4O3S and a molecular weight of 352.38 g/mol. Its IUPAC name is 2-[3-(6-methoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(6-methoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID59179869
Molecular FormulaC17H12N4O3S
Molecular Weight352.38 g/mol
Exact Mass352.06
IUPAC Name2-[3-(6-methoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2nn(-c3nc(C(=O)O)cs3)c3ccccc23)cn1
InChIInChI=1S/C17H12N4O3S/c1-24-14-7-6-10(8-18-14)15-11-4-2-3-5-13(11)21(20-15)17-19-12(9-25-17)16(22)23/h2-9H,1H3,(H,22,23)
InChIKeyLXLJLOFSUORICZ-UHFFFAOYSA-N
XLogP3.25
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[3-(6-methoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid (CID 59179869) is 2-[3-(6-methoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-(6-methoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[3-(6-methoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid is COc1ccc(-c2nn(-c3nc(C(=O)O)cs3)c3ccccc23)cn1.
What is the InChIKey of 2-[3-(6-methoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is LXLJLOFSUORICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3S/c1-24-14-7-6-10(8-18-14)15-11-4-2-3-5-13(11)21(20-15)17-19-12(9-25-17)16(22)23/h2-9H,1H3,(H,22,23).
What are the key properties of 2-[3-(6-methoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
2-[3-(6-methoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 352.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59179869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).