3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylic acid

C16H11FN4O2 — CID 67003213

IUPAC3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylic acid
SMILESCn1nc(-c2cnc3ccc(F)cn23)c2ccc(C(=O)O)cc21
InChIInChI=1S/C16H11FN4O2/c1-20-12-6-9(16(22)23)2-4-11(12)15(19-20)13-7-18-14-5-3-10(17)8-21(13)14/h2-8H,1H3,(H,22,23)
InChIKeyLWUQYOXDCOXGLY-UHFFFAOYSA-N
MW310.29 g/mol
LogP2.73
Rot. Bonds2

About 3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylic acid

3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylic acid (PubChem CID 67003213) has the molecular formula C16H11FN4O2 and a molecular weight of 310.29 g/mol. Its IUPAC name is 3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylic acid.

Molecular Properties

Compound Name3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylic acid
PubChem CID67003213
Molecular FormulaC16H11FN4O2
Molecular Weight310.29 g/mol
Exact Mass310.09
IUPAC Name3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylic acid
SMILESCn1nc(-c2cnc3ccc(F)cn23)c2ccc(C(=O)O)cc21
InChIInChI=1S/C16H11FN4O2/c1-20-12-6-9(16(22)23)2-4-11(12)15(19-20)13-7-18-14-5-3-10(17)8-21(13)14/h2-8H,1H3,(H,22,23)
InChIKeyLWUQYOXDCOXGLY-UHFFFAOYSA-N
XLogP2.73
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylic acid?
The IUPAC name of 3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylic acid (CID 67003213) is 3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylic acid.
What is the SMILES notation for 3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylic acid?
The canonical SMILES for 3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylic acid is Cn1nc(-c2cnc3ccc(F)cn23)c2ccc(C(=O)O)cc21.
What is the InChIKey of 3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylic acid?
The InChIKey is LWUQYOXDCOXGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2/c1-20-12-6-9(16(22)23)2-4-11(12)15(19-20)13-7-18-14-5-3-10(17)8-21(13)14/h2-8H,1H3,(H,22,23).
What are the key properties of 3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylic acid?
3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylic acid has a molecular weight of 310.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazole-6-carboxylic acid is sourced from PubChem (CID 67003213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).