6-[6-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-ethyl-6-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid

C154H130N24O14 — CID 157315187

IUPAC6-[6-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-ethyl-6-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESC#Cc1ccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)cc1.C#Cc1ccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)cc1.CCn1nc2cc(N(C)c3ccccc3)ccc2c1C1=Cc2nccc(C(=O)O)c2C1.CN(c1ccc(C2CC2)cc1)c1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc2c1.COc1cccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)c1.COc1ccccc1N(C)c1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc2c1
InChIInChI=1S/C27H24N4O2.2C26H20N4O2.2C25H22N4O3.C25H22N4O2/c1-30(19-7-5-17(6-8-19)16-3-4-16)20-9-10-22-25(15-20)29-31(2)26(22)18-13-23-21(27(32)33)11-12-28-24(23)14-18;2*1-4-16-5-7-18(8-6-16)29(2)19-9-10-21-24(15-19)28-30(3)25(21)17-13-22-20(26(31)32)11-12-27-23(22)14-17;1-28(16-5-4-6-18(13-16)32-3)17-7-8-20-23(14-17)27-29(2)24(20)15-11-21-19(25(30)31)9-10-26-22(21)12-15;1-28(22-6-4-5-7-23(22)32-3)16-8-9-18-21(14-16)27-29(2)24(18)15-12-19-17(25(30)31)10-11-26-20(19)13-15;1-3-29-24(16-13-21-19(25(30)31)11-12-26-22(21)14-16)20-10-9-18(15-23(20)27-29)28(2)17-7-5-4-6-8-17/h5-12,14-16H,3-4,13H2,1-2H3,(H,32,33);2*1,5-12,14-15H,13H2,2-3H3,(H,31,32);4-10,12-14H,11H2,1-3H3,(H,30,31);4-11,13-14H,12H2,1-3H3,(H,30,31);4-12,14-15H,3,13H2,1-2H3,(H,30,31)
InChIKeyBDMVRBCQJGWVFP-UHFFFAOYSA-N
MW2540.89 g/mol
LogP28.53
Rot. Bonds28

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

6-[6-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-ethyl-6-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 157315187) has the molecular formula C154H130N24O14 and a molecular weight of 2540.89 g/mol. Its IUPAC name is 6-[6-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-ethyl-6-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[6-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-ethyl-6-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID157315187
Molecular FormulaC154H130N24O14
Molecular Weight2540.89 g/mol
Exact Mass2539.02
IUPAC Name6-[6-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-ethyl-6-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESC#Cc1ccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)cc1.C#Cc1ccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)cc1.CCn1nc2cc(N(C)c3ccccc3)ccc2c1C1=Cc2nccc(C(=O)O)c2C1.CN(c1ccc(C2CC2)cc1)c1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc2c1.COc1cccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)c1.COc1ccccc1N(C)c1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc2c1
InChIInChI=1S/C27H24N4O2.2C26H20N4O2.2C25H22N4O3.C25H22N4O2/c1-30(19-7-5-17(6-8-19)16-3-4-16)20-9-10-22-25(15-20)29-31(2)26(22)18-13-23-21(27(32)33)11-12-28-24(23)14-18;2*1-4-16-5-7-18(8-6-16)29(2)19-9-10-21-24(15-19)28-30(3)25(21)17-13-22-20(26(31)32)11-12-27-23(22)14-17;1-28(16-5-4-6-18(13-16)32-3)17-7-8-20-23(14-17)27-29(2)24(20)15-11-21-19(25(30)31)9-10-26-22(21)12-15;1-28(22-6-4-5-7-23(22)32-3)16-8-9-18-21(14-16)27-29(2)24(18)15-12-19-17(25(30)31)10-11-26-20(19)13-15;1-3-29-24(16-13-21-19(25(30)31)11-12-26-22(21)14-16)20-10-9-18(15-23(20)27-29)28(2)17-7-5-4-6-8-17/h5-12,14-16H,3-4,13H2,1-2H3,(H,32,33);2*1,5-12,14-15H,13H2,2-3H3,(H,31,32);4-10,12-14H,11H2,1-3H3,(H,30,31);4-11,13-14H,12H2,1-3H3,(H,30,31);4-12,14-15H,3,13H2,1-2H3,(H,30,31)
InChIKeyBDMVRBCQJGWVFP-UHFFFAOYSA-N
XLogP28.53
TPSA445.96 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms192
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002540.89
LogP ≤ 528.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-[6-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-ethyl-6-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(3-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-[6-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-ethyl-6-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[6-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-ethyl-6-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 157315187) is 6-[6-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-ethyl-6-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[6-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-ethyl-6-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[6-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-ethyl-6-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is C#Cc1ccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)cc1.C#Cc1ccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)cc1.CCn1nc2cc(N(C)c3ccccc3)ccc2c1C1=Cc2nccc(C(=O)O)c2C1.CN(c1ccc(C2CC2)cc1)c1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc2c1.COc1cccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)c1.COc1ccccc1N(C)c1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc2c1.
What is the InChIKey of 6-[6-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-ethyl-6-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is BDMVRBCQJGWVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2.2C26H20N4O2.2C25H22N4O3.C25H22N4O2/c1-30(19-7-5-17(6-8-19)16-3-4-16)20-9-10-22-25(15-20)29-31(2)26(22)18-13-23-21(27(32)33)11-12-28-24(23)14-18;2*1-4-16-5-7-18(8-6-16)29(2)19-9-10-21-24(15-19)28-30(3)25(21)17-13-22-20(26(31)32)11-12-27-23(22)14-17;1-28(16-5-4-6-18(13-16)32-3)17-7-8-20-23(14-17)27-29(2)24(20)15-11-21-19(25(30)31)9-10-26-22(21)12-15;1-28(22-6-4-5-7-23(22)32-3)16-8-9-18-21(14-16)27-29(2)24(18)15-12-19-17(25(30)31)10-11-26-20(19)13-15;1-3-29-24(16-13-21-19(25(30)31)11-12-26-22(21)14-16)20-10-9-18(15-23(20)27-29)28(2)17-7-5-4-6-8-17/h5-12,14-16H,3-4,13H2,1-2H3,(H,32,33);2*1,5-12,14-15H,13H2,2-3H3,(H,31,32);4-10,12-14H,11H2,1-3H3,(H,30,31);4-11,13-14H,12H2,1-3H3,(H,30,31);4-12,14-15H,3,13H2,1-2H3,(H,30,31).
What are the key properties of 6-[6-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-ethyl-6-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
6-[6-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-ethyl-6-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 2540.89 g/mol, XLogP of 28.53, 28 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-ethyl-6-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 157315187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).