1-(4-fluorophenyl)-6-[2-methoxyethyl(methyl)amino]indazole-4-carboxylic acid

C18H18FN3O3 — CID 66917075

IUPAC1-(4-fluorophenyl)-6-[2-methoxyethyl(methyl)amino]indazole-4-carboxylic acid
SMILESCOCCN(C)c1cc(C(=O)O)c2cnn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C18H18FN3O3/c1-21(7-8-25-2)14-9-15(18(23)24)16-11-20-22(17(16)10-14)13-5-3-12(19)4-6-13/h3-6,9-11H,7-8H2,1-2H3,(H,23,24)
InChIKeyGYMKLCACFXCIGT-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.95
Rot. Bonds6

About 1-(4-fluorophenyl)-6-[2-methoxyethyl(methyl)amino]indazole-4-carboxylic acid

1-(4-fluorophenyl)-6-[2-methoxyethyl(methyl)amino]indazole-4-carboxylic acid (PubChem CID 66917075) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-[2-methoxyethyl(methyl)amino]indazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-[2-methoxyethyl(methyl)amino]indazole-4-carboxylic acid
PubChem CID66917075
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name1-(4-fluorophenyl)-6-[2-methoxyethyl(methyl)amino]indazole-4-carboxylic acid
SMILESCOCCN(C)c1cc(C(=O)O)c2cnn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C18H18FN3O3/c1-21(7-8-25-2)14-9-15(18(23)24)16-11-20-22(17(16)10-14)13-5-3-12(19)4-6-13/h3-6,9-11H,7-8H2,1-2H3,(H,23,24)
InChIKeyGYMKLCACFXCIGT-UHFFFAOYSA-N
XLogP2.95
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-[2-methoxyethyl(methyl)amino]indazole-4-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-6-[2-methoxyethyl(methyl)amino]indazole-4-carboxylic acid (CID 66917075) is 1-(4-fluorophenyl)-6-[2-methoxyethyl(methyl)amino]indazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-6-[2-methoxyethyl(methyl)amino]indazole-4-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-6-[2-methoxyethyl(methyl)amino]indazole-4-carboxylic acid is COCCN(C)c1cc(C(=O)O)c2cnn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 1-(4-fluorophenyl)-6-[2-methoxyethyl(methyl)amino]indazole-4-carboxylic acid?
The InChIKey is GYMKLCACFXCIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-21(7-8-25-2)14-9-15(18(23)24)16-11-20-22(17(16)10-14)13-5-3-12(19)4-6-13/h3-6,9-11H,7-8H2,1-2H3,(H,23,24).
What are the key properties of 1-(4-fluorophenyl)-6-[2-methoxyethyl(methyl)amino]indazole-4-carboxylic acid?
1-(4-fluorophenyl)-6-[2-methoxyethyl(methyl)amino]indazole-4-carboxylic acid has a molecular weight of 343.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-[2-methoxyethyl(methyl)amino]indazole-4-carboxylic acid is sourced from PubChem (CID 66917075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).