2-(5-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

C16H11FN4O2 — CID 137014333

IUPAC2-(5-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCn1nc(-c2cc3nccc(C(=O)O)c3[nH]2)c2cc(F)ccc21
InChIInChI=1S/C16H11FN4O2/c1-21-13-3-2-8(17)6-10(13)15(20-21)12-7-11-14(19-12)9(16(22)23)4-5-18-11/h2-7,19H,1H3,(H,22,23)
InChIKeyGAGIJJUJQGYNBH-UHFFFAOYSA-N
MW310.29 g/mol
LogP2.95
Rot. Bonds2

About 2-(5-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

2-(5-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (PubChem CID 137014333) has the molecular formula C16H11FN4O2 and a molecular weight of 310.29 g/mol. Its IUPAC name is 2-(5-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
PubChem CID137014333
Molecular FormulaC16H11FN4O2
Molecular Weight310.29 g/mol
Exact Mass310.09
IUPAC Name2-(5-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCn1nc(-c2cc3nccc(C(=O)O)c3[nH]2)c2cc(F)ccc21
InChIInChI=1S/C16H11FN4O2/c1-21-13-3-2-8(17)6-10(13)15(20-21)12-7-11-14(19-12)9(16(22)23)4-5-18-11/h2-7,19H,1H3,(H,22,23)
InChIKeyGAGIJJUJQGYNBH-UHFFFAOYSA-N
XLogP2.95
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-(5-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (CID 137014333) is 2-(5-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(5-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(5-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is Cn1nc(-c2cc3nccc(C(=O)O)c3[nH]2)c2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is GAGIJJUJQGYNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2/c1-21-13-3-2-8(17)6-10(13)15(20-21)12-7-11-14(19-12)9(16(22)23)4-5-18-11/h2-7,19H,1H3,(H,22,23).
What are the key properties of 2-(5-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
2-(5-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 310.29 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 137014333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).