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

C24H19FN4O2 — CID 147946937

IUPAC6-[6-(4-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCN(c1ccc(F)cc1)c1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc2c1
InChIInChI=1S/C24H19FN4O2/c1-28(16-5-3-15(25)4-6-16)17-7-8-19-22(13-17)27-29(2)23(19)14-11-20-18(24(30)31)9-10-26-21(20)12-14/h3-10,12-13H,11H2,1-2H3,(H,30,31)
InChIKeyIMVRQRUISYCMMR-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.67
Rot. Bonds4

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

6-[6-(4-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 147946937) has the molecular formula C24H19FN4O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is 6-[6-(4-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[6-(4-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID147946937
Molecular FormulaC24H19FN4O2
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC Name6-[6-(4-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCN(c1ccc(F)cc1)c1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc2c1
InChIInChI=1S/C24H19FN4O2/c1-28(16-5-3-15(25)4-6-16)17-7-8-19-22(13-17)27-29(2)23(19)14-11-20-18(24(30)31)9-10-26-21(20)12-14/h3-10,12-13H,11H2,1-2H3,(H,30,31)
InChIKeyIMVRQRUISYCMMR-UHFFFAOYSA-N
XLogP4.67
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 148917605
6-[6-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 148701691
6-[6-(3-fluoro-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 149026987
6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 149046872
6-[6-(4-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 149395045
6-(5-cyclopropyl-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 146894540
6-(1-methyl-6-phenylsulfanylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 160920337
6-[2-methyl-7-(4-methylphenyl)sulfanylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 157464355
6-[7-(3,4-dihydro-2H-quinolin-1-yl)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 160641045
2-[6-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
CID 137014274
2-[6-(N-ethylanilino)-2-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
CID 137014390
6-ethyl-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 160512753

Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[6-(4-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 147946937) is 6-[6-(4-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[6-(4-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[6-(4-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is CN(c1ccc(F)cc1)c1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc2c1.
What is the InChIKey of 6-[6-(4-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is IMVRQRUISYCMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2/c1-28(16-5-3-15(25)4-6-16)17-7-8-19-22(13-17)27-29(2)23(19)14-11-20-18(24(30)31)9-10-26-21(20)12-14/h3-10,12-13H,11H2,1-2H3,(H,30,31).
What are the key properties of 6-[6-(4-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
6-[6-(4-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 414.44 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 147946937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).