5-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

C21H20FN3O3 — CID 175056064

IUPAC5-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCOc1cccc(F)c1-c1ccc2c(C3=CCCN(C(=O)O)C3)n(C)nc2c1
InChIInChI=1S/C21H20FN3O3/c1-24-20(14-5-4-10-25(12-14)21(26)27)15-9-8-13(11-17(15)23-24)19-16(22)6-3-7-18(19)28-2/h3,5-9,11H,4,10,12H2,1-2H3,(H,26,27)
InChIKeyCSPHEJIMLDCHPE-UHFFFAOYSA-N
MW381.41 g/mol
LogP4.16
Rot. Bonds3

About 5-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

5-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 175056064) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 5-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID175056064
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name5-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCOc1cccc(F)c1-c1ccc2c(C3=CCCN(C(=O)O)C3)n(C)nc2c1
InChIInChI=1S/C21H20FN3O3/c1-24-20(14-5-4-10-25(12-14)21(26)27)15-9-8-13(11-17(15)23-24)19-16(22)6-3-7-18(19)28-2/h3,5-9,11H,4,10,12H2,1-2H3,(H,26,27)
InChIKeyCSPHEJIMLDCHPE-UHFFFAOYSA-N
XLogP4.16
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 5-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 175056064) is 5-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 5-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 5-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is COc1cccc(F)c1-c1ccc2c(C3=CCCN(C(=O)O)C3)n(C)nc2c1.
What is the InChIKey of 5-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is CSPHEJIMLDCHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-24-20(14-5-4-10-25(12-14)21(26)27)15-9-8-13(11-17(15)23-24)19-16(22)6-3-7-18(19)28-2/h3,5-9,11H,4,10,12H2,1-2H3,(H,26,27).
What are the key properties of 5-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
5-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 381.41 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 175056064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).