6-[7-(3-fluorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid

C23H16FN3O3 — CID 147100683

IUPAC6-[7-(3-fluorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCn1nc2c(Oc3cccc(F)c3)cccc2c1C1=Cc2nccc(C(=O)O)c2C1
InChIInChI=1S/C23H16FN3O3/c1-27-22(13-10-18-16(23(28)29)8-9-25-19(18)11-13)17-6-3-7-20(21(17)26-27)30-15-5-2-4-14(24)12-15/h2-9,11-12H,10H2,1H3,(H,28,29)
InChIKeyBKPDFWFDMOZRPG-UHFFFAOYSA-N
MW401.40 g/mol
LogP4.69
Rot. Bonds4

About 6-[7-(3-fluorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid

6-[7-(3-fluorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 147100683) has the molecular formula C23H16FN3O3 and a molecular weight of 401.40 g/mol. Its IUPAC name is 6-[7-(3-fluorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[7-(3-fluorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID147100683
Molecular FormulaC23H16FN3O3
Molecular Weight401.40 g/mol
Exact Mass401.12
IUPAC Name6-[7-(3-fluorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCn1nc2c(Oc3cccc(F)c3)cccc2c1C1=Cc2nccc(C(=O)O)c2C1
InChIInChI=1S/C23H16FN3O3/c1-27-22(13-10-18-16(23(28)29)8-9-25-19(18)11-13)17-6-3-7-20(21(17)26-27)30-15-5-2-4-14(24)12-15/h2-9,11-12H,10H2,1H3,(H,28,29)
InChIKeyBKPDFWFDMOZRPG-UHFFFAOYSA-N
XLogP4.69
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[7-(3-fluorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid with MolForge

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Related Compounds

1-Pentyl-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71604304
5-fluoro-PB-22
CID 72710774
FUB-PB-22 compound
CID 91936864
5-Fluoro-NPB-22
CID 118796524
3-(2-(4-(1-(2-ethoxyethyl)-1H-indol-3-yl)piperidin-1-yl)ethoxy)benzoic acid
CID 9889247
6-[(6-Methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151149
5-[(6-Methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]furan-2-carboxylic acid
CID 60151284
4-(3-Ethoxyphenyl)-1-(2-phenoxyethyl)pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 71212562
Npb-22
CID 118796435
3-[[6-[1-[(3-Methoxyphenyl)methyl]indol-6-yl]indazol-2-yl]methyl]benzoic acid
CID 155564271
6-[(5-Methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704834
US10968198, Example 40
CID 122457220

Frequently Asked Questions

What is the IUPAC name of 6-[7-(3-fluorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[7-(3-fluorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 147100683) is 6-[7-(3-fluorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[7-(3-fluorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[7-(3-fluorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is Cn1nc2c(Oc3cccc(F)c3)cccc2c1C1=Cc2nccc(C(=O)O)c2C1.
What is the InChIKey of 6-[7-(3-fluorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is BKPDFWFDMOZRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O3/c1-27-22(13-10-18-16(23(28)29)8-9-25-19(18)11-13)17-6-3-7-20(21(17)26-27)30-15-5-2-4-14(24)12-15/h2-9,11-12H,10H2,1H3,(H,28,29).
What are the key properties of 6-[7-(3-fluorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
6-[7-(3-fluorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 401.40 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(3-fluorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 147100683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).