2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazole-4-carboxylic acid

C23H16N4O3S — CID 59179890

IUPAC2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3ccccc3)c3ccc(OCc4cccnc4)cc32)n1
InChIInChI=1S/C23H16N4O3S/c28-22(29)19-14-31-23(25-19)27-20-11-17(30-13-15-5-4-10-24-12-15)8-9-18(20)21(26-27)16-6-2-1-3-7-16/h1-12,14H,13H2,(H,28,29)
InChIKeyYPVMDPONJXJHDL-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.82
Rot. Bonds6

About 2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazole-4-carboxylic acid

2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 59179890) has the molecular formula C23H16N4O3S and a molecular weight of 428.47 g/mol. Its IUPAC name is 2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID59179890
Molecular FormulaC23H16N4O3S
Molecular Weight428.47 g/mol
Exact Mass428.09
IUPAC Name2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3ccccc3)c3ccc(OCc4cccnc4)cc32)n1
InChIInChI=1S/C23H16N4O3S/c28-22(29)19-14-31-23(25-19)27-20-11-17(30-13-15-5-4-10-24-12-15)8-9-18(20)21(26-27)16-6-2-1-3-7-16/h1-12,14H,13H2,(H,28,29)
InChIKeyYPVMDPONJXJHDL-UHFFFAOYSA-N
XLogP4.82
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazole-4-carboxylic acid (CID 59179890) is 2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-n2nc(-c3ccccc3)c3ccc(OCc4cccnc4)cc32)n1.
What is the InChIKey of 2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is YPVMDPONJXJHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O3S/c28-22(29)19-14-31-23(25-19)27-20-11-17(30-13-15-5-4-10-24-12-15)8-9-18(20)21(26-27)16-6-2-1-3-7-16/h1-12,14H,13H2,(H,28,29).
What are the key properties of 2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 428.47 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59179890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).