6-[7-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid

C126H109FN20O13 — CID 161187871

IUPAC6-[7-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCN(c1ccc(C2CC2)cc1)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc12.CN(c1ccccc1F)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc12.COc1ccc(N(C)c2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc23)cc1.COc1cccc(N(C)c2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc23)c1.COc1ccccc1N(C)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc12
InChIInChI=1S/C27H24N4O2.3C25H22N4O3.C24H19FN4O2/c1-30(19-10-8-17(9-11-19)16-6-7-16)24-5-3-4-21-25(24)29-31(2)26(21)18-14-22-20(27(32)33)12-13-28-23(22)15-18;1-28(16-6-4-7-17(14-16)32-3)22-9-5-8-19-23(22)27-29(2)24(19)15-12-20-18(25(30)31)10-11-26-21(20)13-15;1-28(20-8-4-5-10-22(20)32-3)21-9-6-7-17-23(21)27-29(2)24(17)15-13-18-16(25(30)31)11-12-26-19(18)14-15;1-28(16-7-9-17(32-3)10-8-16)22-6-4-5-19-23(22)27-29(2)24(19)15-13-20-18(25(30)31)11-12-26-21(20)14-15;1-28(20-8-4-3-7-18(20)25)21-9-5-6-16-22(21)27-29(2)23(16)14-12-17-15(24(30)31)10-11-26-19(17)13-14/h3-5,8-13,15-16H,6-7,14H2,1-2H3,(H,32,33);4-11,13-14H,12H2,1-3H3,(H,30,31);2*4-12,14H,13H2,1-3H3,(H,30,31);3-11,13H,12H2,1-2H3,(H,30,31)
InChIKeyUTIBXYNZUOZFGJ-UHFFFAOYSA-N
MW2130.38 g/mol
LogP23.70
Rot. Bonds24

About 6-[7-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid

6-[7-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 161187871) has the molecular formula C126H109FN20O13 and a molecular weight of 2130.38 g/mol. Its IUPAC name is 6-[7-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[7-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID161187871
Molecular FormulaC126H109FN20O13
Molecular Weight2130.38 g/mol
Exact Mass2128.85
IUPAC Name6-[7-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCN(c1ccc(C2CC2)cc1)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc12.CN(c1ccccc1F)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc12.COc1ccc(N(C)c2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc23)cc1.COc1cccc(N(C)c2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc23)c1.COc1ccccc1N(C)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc12
InChIInChI=1S/C27H24N4O2.3C25H22N4O3.C24H19FN4O2/c1-30(19-10-8-17(9-11-19)16-6-7-16)24-5-3-4-21-25(24)29-31(2)26(21)18-14-22-20(27(32)33)12-13-28-23(22)15-18;1-28(16-6-4-7-17(14-16)32-3)22-9-5-8-19-23(22)27-29(2)24(19)15-12-20-18(25(30)31)10-11-26-21(20)13-15;1-28(20-8-4-5-10-22(20)32-3)21-9-6-7-17-23(21)27-29(2)24(17)15-13-18-16(25(30)31)11-12-26-19(18)14-15;1-28(16-7-9-17(32-3)10-8-16)22-6-4-5-19-23(22)27-29(2)24(19)15-13-20-18(25(30)31)11-12-26-21(20)14-15;1-28(20-8-4-3-7-18(20)25)21-9-5-6-16-22(21)27-29(2)23(16)14-12-17-15(24(30)31)10-11-26-19(17)13-14/h3-5,8-13,15-16H,6-7,14H2,1-2H3,(H,32,33);4-11,13-14H,12H2,1-3H3,(H,30,31);2*4-12,14H,13H2,1-3H3,(H,30,31);3-11,13H,12H2,1-2H3,(H,30,31)
InChIKeyUTIBXYNZUOZFGJ-UHFFFAOYSA-N
XLogP23.70
TPSA383.94 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms160
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002130.38
LogP ≤ 523.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze 6-[7-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-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-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[7-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 161187871) is 6-[7-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[7-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[7-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is CN(c1ccc(C2CC2)cc1)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc12.CN(c1ccccc1F)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc12.COc1ccc(N(C)c2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc23)cc1.COc1cccc(N(C)c2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc23)c1.COc1ccccc1N(C)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc12.
What is the InChIKey of 6-[7-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is UTIBXYNZUOZFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2.3C25H22N4O3.C24H19FN4O2/c1-30(19-10-8-17(9-11-19)16-6-7-16)24-5-3-4-21-25(24)29-31(2)26(21)18-14-22-20(27(32)33)12-13-28-23(22)15-18;1-28(16-6-4-7-17(14-16)32-3)22-9-5-8-19-23(22)27-29(2)24(19)15-12-20-18(25(30)31)10-11-26-21(20)13-15;1-28(20-8-4-5-10-22(20)32-3)21-9-6-7-17-23(21)27-29(2)24(17)15-13-18-16(25(30)31)11-12-26-19(18)14-15;1-28(16-7-9-17(32-3)10-8-16)22-6-4-5-19-23(22)27-29(2)24(19)15-13-20-18(25(30)31)11-12-26-21(20)14-15;1-28(20-8-4-3-7-18(20)25)21-9-5-6-16-22(21)27-29(2)23(16)14-12-17-15(24(30)31)10-11-26-19(17)13-14/h3-5,8-13,15-16H,6-7,14H2,1-2H3,(H,32,33);4-11,13-14H,12H2,1-3H3,(H,30,31);2*4-12,14H,13H2,1-3H3,(H,30,31);3-11,13H,12H2,1-2H3,(H,30,31).
What are the key properties of 6-[7-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
6-[7-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 2130.38 g/mol, XLogP of 23.70, 24 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 161187871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).