3-(2-fluorophenyl)-1H-indazole-5-carboxylic acid;bis(3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid);3-(3-fluorophenyl)-1H-indazole-6-carboxylic acid;3-(3-fluorophenyl)-1H-indazole-7-carboxylic acid;3-pyridin-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid

C96H63F5N16O14 — CID 158342776

IUPAC3-(2-fluorophenyl)-1H-indazole-5-carboxylic acid;bis(3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid);3-(3-fluorophenyl)-1H-indazole-6-carboxylic acid;3-(3-fluorophenyl)-1H-indazole-7-carboxylic acid;3-pyridin-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(O)c1ccc2[nH]nc(-c3ccccc3F)c2c1.O=C(O)c1ccc2[nH]nc(-c3ccccn3)c2c1.O=C(O)c1ccc2[nH]nc(-c3cccnc3)c2c1.O=C(O)c1ccc2c(-c3cccc(F)c3)n[nH]c2c1.O=C(O)c1cccc2c(-c3cccc(F)c3)n[nH]c12
InChIInChI=1S/5C14H9FN2O2.2C13H9N3O2/c15-9-4-1-3-8(7-9)12-10-5-2-6-11(14(18)19)13(10)17-16-12;2*15-10-3-1-2-8(6-10)13-11-7-9(14(18)19)4-5-12(11)16-17-13;15-10-3-1-2-8(6-10)13-11-5-4-9(14(18)19)7-12(11)16-17-13;15-11-4-2-1-3-9(11)13-10-7-8(14(18)19)5-6-12(10)16-17-13;17-13(18)8-3-4-11-10(6-8)12(16-15-11)9-2-1-5-14-7-9;17-13(18)8-4-5-10-9(7-8)12(16-15-10)11-3-1-2-6-14-11/h5*1-7H,(H,16,17)(H,18,19);2*1-7H,(H,15,16)(H,17,18)
InChIKeyGRIZXEDTSJUGST-UHFFFAOYSA-N
MW1759.65 g/mol
LogP19.98
Rot. Bonds14

About 3-(2-fluorophenyl)-1H-indazole-5-carboxylic acid;bis(3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid);3-(3-fluorophenyl)-1H-indazole-6-carboxylic acid;3-(3-fluorophenyl)-1H-indazole-7-carboxylic acid;3-pyridin-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid

3-(2-fluorophenyl)-1H-indazole-5-carboxylic acid;bis(3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid);3-(3-fluorophenyl)-1H-indazole-6-carboxylic acid;3-(3-fluorophenyl)-1H-indazole-7-carboxylic acid;3-pyridin-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid (PubChem CID 158342776) has the molecular formula C96H63F5N16O14 and a molecular weight of 1759.65 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1H-indazole-5-carboxylic acid;bis(3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid);3-(3-fluorophenyl)-1H-indazole-6-carboxylic acid;3-(3-fluorophenyl)-1H-indazole-7-carboxylic acid;3-pyridin-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1H-indazole-5-carboxylic acid;bis(3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid);3-(3-fluorophenyl)-1H-indazole-6-carboxylic acid;3-(3-fluorophenyl)-1H-indazole-7-carboxylic acid;3-pyridin-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid
PubChem CID158342776
Molecular FormulaC96H63F5N16O14
Molecular Weight1759.65 g/mol
Exact Mass1758.46
IUPAC Name3-(2-fluorophenyl)-1H-indazole-5-carboxylic acid;bis(3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid);3-(3-fluorophenyl)-1H-indazole-6-carboxylic acid;3-(3-fluorophenyl)-1H-indazole-7-carboxylic acid;3-pyridin-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(O)c1ccc2[nH]nc(-c3ccccc3F)c2c1.O=C(O)c1ccc2[nH]nc(-c3ccccn3)c2c1.O=C(O)c1ccc2[nH]nc(-c3cccnc3)c2c1.O=C(O)c1ccc2c(-c3cccc(F)c3)n[nH]c2c1.O=C(O)c1cccc2c(-c3cccc(F)c3)n[nH]c12
InChIInChI=1S/5C14H9FN2O2.2C13H9N3O2/c15-9-4-1-3-8(7-9)12-10-5-2-6-11(14(18)19)13(10)17-16-12;2*15-10-3-1-2-8(6-10)13-11-7-9(14(18)19)4-5-12(11)16-17-13;15-10-3-1-2-8(6-10)13-11-5-4-9(14(18)19)7-12(11)16-17-13;15-11-4-2-1-3-9(11)13-10-7-8(14(18)19)5-6-12(10)16-17-13;17-13(18)8-3-4-11-10(6-8)12(16-15-11)9-2-1-5-14-7-9;17-13(18)8-4-5-10-9(7-8)12(16-15-10)11-3-1-2-6-14-11/h5*1-7H,(H,16,17)(H,18,19);2*1-7H,(H,15,16)(H,17,18)
InChIKeyGRIZXEDTSJUGST-UHFFFAOYSA-N
XLogP19.98
TPSA487.64 Ų
H-Bond Donors14
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms131
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001759.65
LogP ≤ 519.98
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1016

Analyze 3-(2-fluorophenyl)-1H-indazole-5-carboxylic acid;bis(3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid);3-(3-fluorophenyl)-1H-indazole-6-carboxylic acid;3-(3-fluorophenyl)-1H-indazole-7-carboxylic acid;3-pyridin-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1H-indazole-5-carboxylic acid;bis(3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid);3-(3-fluorophenyl)-1H-indazole-6-carboxylic acid;3-(3-fluorophenyl)-1H-indazole-7-carboxylic acid;3-pyridin-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid?
The IUPAC name of 3-(2-fluorophenyl)-1H-indazole-5-carboxylic acid;bis(3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid);3-(3-fluorophenyl)-1H-indazole-6-carboxylic acid;3-(3-fluorophenyl)-1H-indazole-7-carboxylic acid;3-pyridin-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid (CID 158342776) is 3-(2-fluorophenyl)-1H-indazole-5-carboxylic acid;bis(3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid);3-(3-fluorophenyl)-1H-indazole-6-carboxylic acid;3-(3-fluorophenyl)-1H-indazole-7-carboxylic acid;3-pyridin-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-1H-indazole-5-carboxylic acid;bis(3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid);3-(3-fluorophenyl)-1H-indazole-6-carboxylic acid;3-(3-fluorophenyl)-1H-indazole-7-carboxylic acid;3-pyridin-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid?
The canonical SMILES for 3-(2-fluorophenyl)-1H-indazole-5-carboxylic acid;bis(3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid);3-(3-fluorophenyl)-1H-indazole-6-carboxylic acid;3-(3-fluorophenyl)-1H-indazole-7-carboxylic acid;3-pyridin-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid is O=C(O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(O)c1ccc2[nH]nc(-c3ccccc3F)c2c1.O=C(O)c1ccc2[nH]nc(-c3ccccn3)c2c1.O=C(O)c1ccc2[nH]nc(-c3cccnc3)c2c1.O=C(O)c1ccc2c(-c3cccc(F)c3)n[nH]c2c1.O=C(O)c1cccc2c(-c3cccc(F)c3)n[nH]c12.
What is the InChIKey of 3-(2-fluorophenyl)-1H-indazole-5-carboxylic acid;bis(3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid);3-(3-fluorophenyl)-1H-indazole-6-carboxylic acid;3-(3-fluorophenyl)-1H-indazole-7-carboxylic acid;3-pyridin-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid?
The InChIKey is GRIZXEDTSJUGST-UHFFFAOYSA-N. The full InChI is InChI=1S/5C14H9FN2O2.2C13H9N3O2/c15-9-4-1-3-8(7-9)12-10-5-2-6-11(14(18)19)13(10)17-16-12;2*15-10-3-1-2-8(6-10)13-11-7-9(14(18)19)4-5-12(11)16-17-13;15-10-3-1-2-8(6-10)13-11-5-4-9(14(18)19)7-12(11)16-17-13;15-11-4-2-1-3-9(11)13-10-7-8(14(18)19)5-6-12(10)16-17-13;17-13(18)8-3-4-11-10(6-8)12(16-15-11)9-2-1-5-14-7-9;17-13(18)8-4-5-10-9(7-8)12(16-15-10)11-3-1-2-6-14-11/h5*1-7H,(H,16,17)(H,18,19);2*1-7H,(H,15,16)(H,17,18).
What are the key properties of 3-(2-fluorophenyl)-1H-indazole-5-carboxylic acid;bis(3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid);3-(3-fluorophenyl)-1H-indazole-6-carboxylic acid;3-(3-fluorophenyl)-1H-indazole-7-carboxylic acid;3-pyridin-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid?
3-(2-fluorophenyl)-1H-indazole-5-carboxylic acid;bis(3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid);3-(3-fluorophenyl)-1H-indazole-6-carboxylic acid;3-(3-fluorophenyl)-1H-indazole-7-carboxylic acid;3-pyridin-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid has a molecular weight of 1759.65 g/mol, XLogP of 19.98, 14 rotatable bonds, 14 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1H-indazole-5-carboxylic acid;bis(3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid);3-(3-fluorophenyl)-1H-indazole-6-carboxylic acid;3-(3-fluorophenyl)-1H-indazole-7-carboxylic acid;3-pyridin-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 158342776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).