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

C18H14N4O4S — CID 59179998

IUPAC2-[3-(2,6-dimethoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2nn(-c3nc(C(=O)O)cs3)c3ccccc23)c(OC)n1
InChIInChI=1S/C18H14N4O4S/c1-25-14-8-7-11(16(20-14)26-2)15-10-5-3-4-6-13(10)22(21-15)18-19-12(9-27-18)17(23)24/h3-9H,1-2H3,(H,23,24)
InChIKeyDAWCWQRNAPFHFW-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.26
Rot. Bonds5

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

2-[3-(2,6-dimethoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 59179998) has the molecular formula C18H14N4O4S and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-[3-(2,6-dimethoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2,6-dimethoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID59179998
Molecular FormulaC18H14N4O4S
Molecular Weight382.40 g/mol
Exact Mass382.07
IUPAC Name2-[3-(2,6-dimethoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2nn(-c3nc(C(=O)O)cs3)c3ccccc23)c(OC)n1
InChIInChI=1S/C18H14N4O4S/c1-25-14-8-7-11(16(20-14)26-2)15-10-5-3-4-6-13(10)22(21-15)18-19-12(9-27-18)17(23)24/h3-9H,1-2H3,(H,23,24)
InChIKeyDAWCWQRNAPFHFW-UHFFFAOYSA-N
XLogP3.26
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dimethoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[3-(2,6-dimethoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid (CID 59179998) is 2-[3-(2,6-dimethoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-(2,6-dimethoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[3-(2,6-dimethoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid is COc1ccc(-c2nn(-c3nc(C(=O)O)cs3)c3ccccc23)c(OC)n1.
What is the InChIKey of 2-[3-(2,6-dimethoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is DAWCWQRNAPFHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4S/c1-25-14-8-7-11(16(20-14)26-2)15-10-5-3-4-6-13(10)22(21-15)18-19-12(9-27-18)17(23)24/h3-9H,1-2H3,(H,23,24).
What are the key properties of 2-[3-(2,6-dimethoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
2-[3-(2,6-dimethoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 382.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59179998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).