6-[7-(3-chlorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[1-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)

C143H112ClN19O17 — CID 159639414

IUPAC6-[7-(3-chlorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[1-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)
SMILESCN(c1ccccc1)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)nn(C)c12.Cc1ccc(Oc2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)nn(C)c23)cc1.Cc1ccc(Oc2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)nn(C)c23)cc1.Cc1cccc(Oc2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)nn(C)c23)c1.Cc1ccccc1Oc1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)nn(C)c12.Cn1nc(C2=Cc3nccc(C(=O)O)c3C2)c2cccc(Oc3cccc(Cl)c3)c21
InChIInChI=1S/C24H20N4O2.4C24H19N3O3.C23H16ClN3O3/c1-27(16-7-4-3-5-8-16)21-10-6-9-18-22(26-28(2)23(18)21)15-13-19-17(24(29)30)11-12-25-20(19)14-15;1-14-5-3-6-16(11-14)30-21-8-4-7-18-22(26-27(2)23(18)21)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(26-27(2)23(17)21)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(26-27(2)23(18)21)15-12-19-17(24(28)29)10-11-25-20(19)13-15;1-27-22-17(6-3-7-20(22)30-15-5-2-4-14(24)12-15)21(26-27)13-10-18-16(23(28)29)8-9-25-19(18)11-13/h3-12,14H,13H2,1-2H3,(H,29,30);4*3-11,13H,12H2,1-2H3,(H,28,29);2-9,11-12H,10H2,1H3,(H,28,29)
InChIKeyMQDTYWRKGUCSCG-UHFFFAOYSA-N
MW2404.04 g/mol
LogP29.20
Rot. Bonds24

About 6-[7-(3-chlorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[1-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)

6-[7-(3-chlorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[1-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) (PubChem CID 159639414) has the molecular formula C143H112ClN19O17 and a molecular weight of 2404.04 g/mol. Its IUPAC name is 6-[7-(3-chlorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[1-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid).

Molecular Properties

Compound Name6-[7-(3-chlorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[1-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)
PubChem CID159639414
Molecular FormulaC143H112ClN19O17
Molecular Weight2404.04 g/mol
Exact Mass2401.82
IUPAC Name6-[7-(3-chlorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[1-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)
SMILESCN(c1ccccc1)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)nn(C)c12.Cc1ccc(Oc2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)nn(C)c23)cc1.Cc1ccc(Oc2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)nn(C)c23)cc1.Cc1cccc(Oc2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)nn(C)c23)c1.Cc1ccccc1Oc1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)nn(C)c12.Cn1nc(C2=Cc3nccc(C(=O)O)c3C2)c2cccc(Oc3cccc(Cl)c3)c21
InChIInChI=1S/C24H20N4O2.4C24H19N3O3.C23H16ClN3O3/c1-27(16-7-4-3-5-8-16)21-10-6-9-18-22(26-28(2)23(18)21)15-13-19-17(24(29)30)11-12-25-20(19)14-15;1-14-5-3-6-16(11-14)30-21-8-4-7-18-22(26-27(2)23(18)21)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(26-27(2)23(17)21)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(26-27(2)23(18)21)15-12-19-17(24(28)29)10-11-25-20(19)13-15;1-27-22-17(6-3-7-20(22)30-15-5-2-4-14(24)12-15)21(26-27)13-10-18-16(23(28)29)8-9-25-19(18)11-13/h3-12,14H,13H2,1-2H3,(H,29,30);4*3-11,13H,12H2,1-2H3,(H,28,29);2-9,11-12H,10H2,1H3,(H,28,29)
InChIKeyMQDTYWRKGUCSCG-UHFFFAOYSA-N
XLogP29.20
TPSA457.45 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms180
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002404.04
LogP ≤ 529.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze 6-[7-(3-chlorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[1-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-(3-chlorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[1-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)?
The IUPAC name of 6-[7-(3-chlorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[1-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) (CID 159639414) is 6-[7-(3-chlorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[1-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid).
What is the SMILES notation for 6-[7-(3-chlorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[1-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)?
The canonical SMILES for 6-[7-(3-chlorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[1-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) is CN(c1ccccc1)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)nn(C)c12.Cc1ccc(Oc2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)nn(C)c23)cc1.Cc1ccc(Oc2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)nn(C)c23)cc1.Cc1cccc(Oc2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)nn(C)c23)c1.Cc1ccccc1Oc1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)nn(C)c12.Cn1nc(C2=Cc3nccc(C(=O)O)c3C2)c2cccc(Oc3cccc(Cl)c3)c21.
What is the InChIKey of 6-[7-(3-chlorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[1-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)?
The InChIKey is MQDTYWRKGUCSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2.4C24H19N3O3.C23H16ClN3O3/c1-27(16-7-4-3-5-8-16)21-10-6-9-18-22(26-28(2)23(18)21)15-13-19-17(24(29)30)11-12-25-20(19)14-15;1-14-5-3-6-16(11-14)30-21-8-4-7-18-22(26-27(2)23(18)21)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(26-27(2)23(17)21)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(26-27(2)23(18)21)15-12-19-17(24(28)29)10-11-25-20(19)13-15;1-27-22-17(6-3-7-20(22)30-15-5-2-4-14(24)12-15)21(26-27)13-10-18-16(23(28)29)8-9-25-19(18)11-13/h3-12,14H,13H2,1-2H3,(H,29,30);4*3-11,13H,12H2,1-2H3,(H,28,29);2-9,11-12H,10H2,1H3,(H,28,29).
What are the key properties of 6-[7-(3-chlorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[1-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)?
6-[7-(3-chlorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[1-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) has a molecular weight of 2404.04 g/mol, XLogP of 29.20, 24 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(3-chlorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[1-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) is sourced from PubChem (CID 159639414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).