6-[7-(4-fluorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid

C23H16FN3O3 — CID 148994055

IUPAC6-[7-(4-fluorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCn1nc(C2=Cc3nccc(C(=O)O)c3C2)c2cccc(Oc3ccc(F)cc3)c21
InChIInChI=1S/C23H16FN3O3/c1-27-22-17(3-2-4-20(22)30-15-7-5-14(24)6-8-15)21(26-27)13-11-18-16(23(28)29)9-10-25-19(18)12-13/h2-10,12H,11H2,1H3,(H,28,29)
InChIKeyPYGHYYTUPSYMNG-UHFFFAOYSA-N
MW401.40 g/mol
LogP4.69
Rot. Bonds4

About 6-[7-(4-fluorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid

6-[7-(4-fluorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 148994055) has the molecular formula C23H16FN3O3 and a molecular weight of 401.40 g/mol. Its IUPAC name is 6-[7-(4-fluorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[7-(4-fluorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID148994055
Molecular FormulaC23H16FN3O3
Molecular Weight401.40 g/mol
Exact Mass401.12
IUPAC Name6-[7-(4-fluorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCn1nc(C2=Cc3nccc(C(=O)O)c3C2)c2cccc(Oc3ccc(F)cc3)c21
InChIInChI=1S/C23H16FN3O3/c1-27-22-17(3-2-4-20(22)30-15-7-5-14(24)6-8-15)21(26-27)13-11-18-16(23(28)29)9-10-25-19(18)12-13/h2-10,12H,11H2,1H3,(H,28,29)
InChIKeyPYGHYYTUPSYMNG-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-(4-fluorophenoxy)-1-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
1-(cyclohexylmethyl)-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71711120
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
6-[[6-Chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 123512315
Npb-22
CID 118796435
3-[[6-[1-[(3-Methoxyphenyl)methyl]indol-6-yl]indazol-2-yl]methyl]benzoic acid
CID 155564271

Frequently Asked Questions

What is the IUPAC name of 6-[7-(4-fluorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[7-(4-fluorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 148994055) is 6-[7-(4-fluorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[7-(4-fluorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[7-(4-fluorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is Cn1nc(C2=Cc3nccc(C(=O)O)c3C2)c2cccc(Oc3ccc(F)cc3)c21.
What is the InChIKey of 6-[7-(4-fluorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is PYGHYYTUPSYMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O3/c1-27-22-17(3-2-4-20(22)30-15-7-5-14(24)6-8-15)21(26-27)13-11-18-16(23(28)29)9-10-25-19(18)12-13/h2-10,12H,11H2,1H3,(H,28,29).
What are the key properties of 6-[7-(4-fluorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
6-[7-(4-fluorophenoxy)-1-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-(4-fluorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 148994055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).