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

C143H112N18O18 — CID 159621128

IUPAC6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-6-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[2-methyl-6-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-(2-methyl-6-phenoxyindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCc1ccc(Oc2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)cc1.Cc1ccc(Oc2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)cc1.Cc1cccc(Oc2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)c1.Cc1cccc(Oc2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)c1.Cc1ccccc1Oc1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc2c1.Cn1nc2cc(Oc3ccccc3)ccc2c1C1=Cc2nccc(C(=O)O)c2C1
InChIInChI=1S/5C24H19N3O3.C23H17N3O3/c2*1-14-3-5-16(6-4-14)30-17-7-8-19-22(13-17)26-27(2)23(19)15-11-20-18(24(28)29)9-10-25-21(20)12-15;2*1-14-4-3-5-16(10-14)30-17-6-7-19-22(13-17)26-27(2)23(19)15-11-20-18(24(28)29)8-9-25-21(20)12-15;1-14-5-3-4-6-22(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;1-26-22(14-11-19-17(23(27)28)9-10-24-20(19)12-14)18-8-7-16(13-21(18)25-26)29-15-5-3-2-4-6-15/h5*3-10,12-13H,11H2,1-2H3,(H,28,29);2-10,12-13H,11H2,1H3,(H,27,28)
InChIKeyMNXBRYBFIPLIGP-UHFFFAOYSA-N
MW2370.58 g/mol
LogP28.88
Rot. Bonds24

About 6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-6-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[2-methyl-6-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-(2-methyl-6-phenoxyindazol-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;bis(6-[2-methyl-6-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[2-methyl-6-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-(2-methyl-6-phenoxyindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 159621128) has the molecular formula C143H112N18O18 and a molecular weight of 2370.58 g/mol. Its IUPAC name is 6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-6-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[2-methyl-6-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-(2-methyl-6-phenoxyindazol-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;bis(6-[2-methyl-6-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[2-methyl-6-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-(2-methyl-6-phenoxyindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID159621128
Molecular FormulaC143H112N18O18
Molecular Weight2370.58 g/mol
Exact Mass2368.84
IUPAC Name6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-6-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[2-methyl-6-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-(2-methyl-6-phenoxyindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCc1ccc(Oc2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)cc1.Cc1ccc(Oc2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)cc1.Cc1cccc(Oc2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)c1.Cc1cccc(Oc2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)c1.Cc1ccccc1Oc1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc2c1.Cn1nc2cc(Oc3ccccc3)ccc2c1C1=Cc2nccc(C(=O)O)c2C1
InChIInChI=1S/5C24H19N3O3.C23H17N3O3/c2*1-14-3-5-16(6-4-14)30-17-7-8-19-22(13-17)26-27(2)23(19)15-11-20-18(24(28)29)9-10-25-21(20)12-15;2*1-14-4-3-5-16(10-14)30-17-6-7-19-22(13-17)26-27(2)23(19)15-11-20-18(24(28)29)8-9-25-21(20)12-15;1-14-5-3-4-6-22(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;1-26-22(14-11-19-17(23(27)28)9-10-24-20(19)12-14)18-8-7-16(13-21(18)25-26)29-15-5-3-2-4-6-15/h5*3-10,12-13H,11H2,1-2H3,(H,28,29);2-10,12-13H,11H2,1H3,(H,27,28)
InChIKeyMNXBRYBFIPLIGP-UHFFFAOYSA-N
XLogP28.88
TPSA463.44 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms179
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002370.58
LogP ≤ 528.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze 6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-6-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[2-methyl-6-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-(2-methyl-6-phenoxyindazol-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-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-6-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[2-methyl-6-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-(2-methyl-6-phenoxyindazol-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;bis(6-[2-methyl-6-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[2-methyl-6-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-(2-methyl-6-phenoxyindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 159621128) is 6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-6-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[2-methyl-6-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-(2-methyl-6-phenoxyindazol-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;bis(6-[2-methyl-6-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[2-methyl-6-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-(2-methyl-6-phenoxyindazol-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;bis(6-[2-methyl-6-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[2-methyl-6-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-(2-methyl-6-phenoxyindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid is Cc1ccc(Oc2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)cc1.Cc1ccc(Oc2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)cc1.Cc1cccc(Oc2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)c1.Cc1cccc(Oc2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)c1.Cc1ccccc1Oc1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc2c1.Cn1nc2cc(Oc3ccccc3)ccc2c1C1=Cc2nccc(C(=O)O)c2C1.
What is the InChIKey of 6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-6-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[2-methyl-6-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-(2-methyl-6-phenoxyindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is MNXBRYBFIPLIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/5C24H19N3O3.C23H17N3O3/c2*1-14-3-5-16(6-4-14)30-17-7-8-19-22(13-17)26-27(2)23(19)15-11-20-18(24(28)29)9-10-25-21(20)12-15;2*1-14-4-3-5-16(10-14)30-17-6-7-19-22(13-17)26-27(2)23(19)15-11-20-18(24(28)29)8-9-25-21(20)12-15;1-14-5-3-4-6-22(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;1-26-22(14-11-19-17(23(27)28)9-10-24-20(19)12-14)18-8-7-16(13-21(18)25-26)29-15-5-3-2-4-6-15/h5*3-10,12-13H,11H2,1-2H3,(H,28,29);2-10,12-13H,11H2,1H3,(H,27,28).
What are the key properties of 6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-6-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[2-methyl-6-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-(2-methyl-6-phenoxyindazol-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;bis(6-[2-methyl-6-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[2-methyl-6-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-(2-methyl-6-phenoxyindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 2370.58 g/mol, XLogP of 28.88, 24 rotatable bonds, 6 hydrogen bond donors, and 30 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;bis(6-[2-methyl-6-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[2-methyl-6-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-(2-methyl-6-phenoxyindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 159621128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).