4-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid

C19H14N2O3 — CID 22260698

IUPAC4-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2[nH]nc(-c3ccc4ccccc4c3)c12
InChIInChI=1S/C19H14N2O3/c1-24-18-14(19(22)23)8-9-15-16(18)17(21-20-15)13-7-6-11-4-2-3-5-12(11)10-13/h2-10H,1H3,(H,20,21)(H,22,23)
InChIKeyMVWIJUSIQVXQBZ-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.09
Rot. Bonds3

About 4-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid

4-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid (PubChem CID 22260698) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid
PubChem CID22260698
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name4-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2[nH]nc(-c3ccc4ccccc4c3)c12
InChIInChI=1S/C19H14N2O3/c1-24-18-14(19(22)23)8-9-15-16(18)17(21-20-15)13-7-6-11-4-2-3-5-12(11)10-13/h2-10H,1H3,(H,20,21)(H,22,23)
InChIKeyMVWIJUSIQVXQBZ-UHFFFAOYSA-N
XLogP4.09
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid?
The IUPAC name of 4-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid (CID 22260698) is 4-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 4-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid?
The canonical SMILES for 4-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid is COc1c(C(=O)O)ccc2[nH]nc(-c3ccc4ccccc4c3)c12.
What is the InChIKey of 4-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid?
The InChIKey is MVWIJUSIQVXQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-24-18-14(19(22)23)8-9-15-16(18)17(21-20-15)13-7-6-11-4-2-3-5-12(11)10-13/h2-10H,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid?
4-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid has a molecular weight of 318.33 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 22260698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).