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

C23H16ClN3O3 — CID 149395045

IUPAC6-[6-(4-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCn1nc2cc(Oc3ccc(Cl)cc3)ccc2c1C1=Cc2nccc(C(=O)O)c2C1
InChIInChI=1S/C23H16ClN3O3/c1-27-22(13-10-19-17(23(28)29)8-9-25-20(19)11-13)18-7-6-16(12-21(18)26-27)30-15-4-2-14(24)3-5-15/h2-9,11-12H,10H2,1H3,(H,28,29)
InChIKeyYOHCSAAUIXAPHT-UHFFFAOYSA-N
MW417.85 g/mol
LogP5.21
Rot. Bonds4

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

6-[6-(4-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 149395045) has the molecular formula C23H16ClN3O3 and a molecular weight of 417.85 g/mol. Its IUPAC name is 6-[6-(4-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[6-(4-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID149395045
Molecular FormulaC23H16ClN3O3
Molecular Weight417.85 g/mol
Exact Mass417.09
IUPAC Name6-[6-(4-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCn1nc2cc(Oc3ccc(Cl)cc3)ccc2c1C1=Cc2nccc(C(=O)O)c2C1
InChIInChI=1S/C23H16ClN3O3/c1-27-22(13-10-19-17(23(28)29)8-9-25-20(19)11-13)18-7-6-16(12-21(18)26-27)30-15-4-2-14(24)3-5-15/h2-9,11-12H,10H2,1H3,(H,28,29)
InChIKeyYOHCSAAUIXAPHT-UHFFFAOYSA-N
XLogP5.21
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.85
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 149046872
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-(4-fluoro-3-methylphenoxy)-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 153232939
6-(1-methyl-6-phenylsulfanylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 160920337
6-[7-(3,4-dihydro-2H-quinolin-1-yl)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 160641045
6-[6-(3-fluoro-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 149026987
2-[7-(4-chlorophenoxy)-1-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
CID 137014355
6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 147530025
6-ethyl-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 160512753

Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[6-(4-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 149395045) is 6-[6-(4-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[6-(4-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[6-(4-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is Cn1nc2cc(Oc3ccc(Cl)cc3)ccc2c1C1=Cc2nccc(C(=O)O)c2C1.
What is the InChIKey of 6-[6-(4-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is YOHCSAAUIXAPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O3/c1-27-22(13-10-19-17(23(28)29)8-9-25-20(19)11-13)18-7-6-16(12-21(18)26-27)30-15-4-2-14(24)3-5-15/h2-9,11-12H,10H2,1H3,(H,28,29).
What are the key properties of 6-[6-(4-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
6-[6-(4-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 417.85 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 149395045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).