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

C25H22N4O3 — CID 159691039

IUPAC6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCOc1ccccc1N(C)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc12
InChIInChI=1S/C25H22N4O3/c1-28(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/h4-12,14H,13H2,1-3H3,(H,30,31)
InChIKeyMWKLELBXLZJUEB-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.54
Rot. Bonds5

About 6-[7-(2-methoxy-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 (PubChem CID 159691039) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID159691039
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCOc1ccccc1N(C)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc12
InChIInChI=1S/C25H22N4O3/c1-28(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/h4-12,14H,13H2,1-3H3,(H,30,31)
InChIKeyMWKLELBXLZJUEB-UHFFFAOYSA-N
XLogP4.54
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 159691039) is 6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is COc1ccccc1N(C)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc12.
What is the InChIKey of 6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is MWKLELBXLZJUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-28(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/h4-12,14H,13H2,1-3H3,(H,30,31).
What are the key properties of 6-[7-(2-methoxy-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 has a molecular weight of 426.48 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 159691039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).