6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid

C24H19N3O3 — CID 149046872

IUPAC6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCc1ccccc1Oc1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc2c1
InChIInChI=1S/C24H19N3O3/c1-14-5-3-4-6-22(14)30-16-7-8-18-21(13-16)26-27(2)23(18)15-11-19-17(24(28)29)9-10-25-20(19)12-15/h3-10,12-13H,11H2,1-2H3,(H,28,29)
InChIKeyQIWCYBPUWWBCFA-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.86
Rot. Bonds4

About 6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid

6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 149046872) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is 6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID149046872
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCc1ccccc1Oc1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc2c1
InChIInChI=1S/C24H19N3O3/c1-14-5-3-4-6-22(14)30-16-7-8-18-21(13-16)26-27(2)23(18)15-11-19-17(24(28)29)9-10-25-20(19)12-15/h3-10,12-13H,11H2,1-2H3,(H,28,29)
InChIKeyQIWCYBPUWWBCFA-UHFFFAOYSA-N
XLogP4.86
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[6-(4-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 149395045
6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 148917605
6-[6-(4-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 147946937
6-[6-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 148701691
6-(5-cyclopropyl-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 146894540
6-(1-methyl-6-phenylsulfanylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 160920337
6-[2-methyl-7-(4-methylphenyl)sulfanylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 157464355
6-[7-(3,4-dihydro-2H-quinolin-1-yl)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 160641045
2-methyl-4-(2-methylphenoxy)benzoic acid
CID 62135465
6-(4-fluoro-3-methylphenoxy)-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 153232939
6-[6-(3-fluoro-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 149026987
2-hydroxy-4-(2-methylphenoxy)benzoic acid
CID 164975487

Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 149046872) is 6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is Cc1ccccc1Oc1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc2c1.
What is the InChIKey of 6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is QIWCYBPUWWBCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c1-14-5-3-4-6-22(14)30-16-7-8-18-21(13-16)26-27(2)23(18)15-11-19-17(24(28)29)9-10-25-20(19)12-15/h3-10,12-13H,11H2,1-2H3,(H,28,29).
What are the key properties of 6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 397.43 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 149046872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).