6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)

C142H108Cl2N18O18 — CID 160704133

IUPAC6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)
SMILESCc1ccc(Oc2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc23)cc1.Cc1ccc(Oc2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc23)cc1.Cc1cccc(Oc2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc23)c1.Cc1ccccc1Oc1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc12.Cn1nc2c(Oc3cccc(Cl)c3)cccc2c1C1=Cc2nccc(C(=O)O)c2C1.Cn1nc2c(Oc3ccccc3Cl)cccc2c1C1=Cc2nccc(C(=O)O)c2C1
InChIInChI=1S/4C24H19N3O3.2C23H16ClN3O3/c1-14-5-3-6-16(11-14)30-21-8-4-7-18-22(21)26-27(2)23(18)15-12-19-17(24(28)29)9-10-25-20(19)13-15;1-14-6-3-4-8-20(14)30-21-9-5-7-17-22(21)26-27(2)23(17)15-12-18-16(24(28)29)10-11-25-19(18)13-15;2*1-14-6-8-16(9-7-14)30-21-5-3-4-18-22(21)26-27(2)23(18)15-12-19-17(24(28)29)10-11-25-20(19)13-15;1-27-22(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;1-27-22(13-11-16-14(23(28)29)9-10-25-18(16)12-13)15-5-4-8-20(21(15)26-27)30-19-7-3-2-6-17(19)24/h4*3-11,13H,12H2,1-2H3,(H,28,29);2-9,11-12H,10H2,1H3,(H,28,29);2-10,12H,11H2,1H3,(H,28,29)
InChIKeyRQZQOTNZOUXOQJ-UHFFFAOYSA-N
MW2425.44 g/mol
LogP29.87
Rot. Bonds24

About 6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)

6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) (PubChem CID 160704133) has the molecular formula C142H108Cl2N18O18 and a molecular weight of 2425.44 g/mol. Its IUPAC name is 6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid).

Molecular Properties

Compound Name6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)
PubChem CID160704133
Molecular FormulaC142H108Cl2N18O18
Molecular Weight2425.44 g/mol
Exact Mass2422.75
IUPAC Name6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)
SMILESCc1ccc(Oc2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc23)cc1.Cc1ccc(Oc2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc23)cc1.Cc1cccc(Oc2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc23)c1.Cc1ccccc1Oc1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc12.Cn1nc2c(Oc3cccc(Cl)c3)cccc2c1C1=Cc2nccc(C(=O)O)c2C1.Cn1nc2c(Oc3ccccc3Cl)cccc2c1C1=Cc2nccc(C(=O)O)c2C1
InChIInChI=1S/4C24H19N3O3.2C23H16ClN3O3/c1-14-5-3-6-16(11-14)30-21-8-4-7-18-22(21)26-27(2)23(18)15-12-19-17(24(28)29)9-10-25-20(19)13-15;1-14-6-3-4-8-20(14)30-21-9-5-7-17-22(21)26-27(2)23(17)15-12-18-16(24(28)29)10-11-25-19(18)13-15;2*1-14-6-8-16(9-7-14)30-21-5-3-4-18-22(21)26-27(2)23(18)15-12-19-17(24(28)29)10-11-25-20(19)13-15;1-27-22(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;1-27-22(13-11-16-14(23(28)29)9-10-25-18(16)12-13)15-5-4-8-20(21(15)26-27)30-19-7-3-2-6-17(19)24/h4*3-11,13H,12H2,1-2H3,(H,28,29);2-9,11-12H,10H2,1H3,(H,28,29);2-10,12H,11H2,1H3,(H,28,29)
InChIKeyRQZQOTNZOUXOQJ-UHFFFAOYSA-N
XLogP29.87
TPSA463.44 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms180
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002425.44
LogP ≤ 529.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze 6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)?
The IUPAC name of 6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) (CID 160704133) is 6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid).
What is the SMILES notation for 6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)?
The canonical SMILES for 6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) is Cc1ccc(Oc2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc23)cc1.Cc1ccc(Oc2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc23)cc1.Cc1cccc(Oc2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc23)c1.Cc1ccccc1Oc1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc12.Cn1nc2c(Oc3cccc(Cl)c3)cccc2c1C1=Cc2nccc(C(=O)O)c2C1.Cn1nc2c(Oc3ccccc3Cl)cccc2c1C1=Cc2nccc(C(=O)O)c2C1.
What is the InChIKey of 6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)?
The InChIKey is RQZQOTNZOUXOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C24H19N3O3.2C23H16ClN3O3/c1-14-5-3-6-16(11-14)30-21-8-4-7-18-22(21)26-27(2)23(18)15-12-19-17(24(28)29)9-10-25-20(19)13-15;1-14-6-3-4-8-20(14)30-21-9-5-7-17-22(21)26-27(2)23(17)15-12-18-16(24(28)29)10-11-25-19(18)13-15;2*1-14-6-8-16(9-7-14)30-21-5-3-4-18-22(21)26-27(2)23(18)15-12-19-17(24(28)29)10-11-25-20(19)13-15;1-27-22(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;1-27-22(13-11-16-14(23(28)29)9-10-25-18(16)12-13)15-5-4-8-20(21(15)26-27)30-19-7-3-2-6-17(19)24/h4*3-11,13H,12H2,1-2H3,(H,28,29);2-9,11-12H,10H2,1H3,(H,28,29);2-10,12H,11H2,1H3,(H,28,29).
What are the key properties of 6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)?
6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) has a molecular weight of 2425.44 g/mol, XLogP of 29.87, 24 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) is sourced from PubChem (CID 160704133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).