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

C25H22N4O3 — CID 148917605

IUPAC6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCOc1ccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)cc1
InChIInChI=1S/C25H22N4O3/c1-28(16-4-7-18(32-3)8-5-16)17-6-9-20-23(14-17)27-29(2)24(20)15-12-21-19(25(30)31)10-11-26-22(21)13-15/h4-11,13-14H,12H2,1-3H3,(H,30,31)
InChIKeyPJWLOKYULYKNCI-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.54
Rot. Bonds5

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

6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 148917605) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID148917605
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCOc1ccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)cc1
InChIInChI=1S/C25H22N4O3/c1-28(16-4-7-18(32-3)8-5-16)17-6-9-20-23(14-17)27-29(2)24(20)15-12-21-19(25(30)31)10-11-26-22(21)13-15/h4-11,13-14H,12H2,1-3H3,(H,30,31)
InChIKeyPJWLOKYULYKNCI-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

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

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Related Compounds

6-[6-(4-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 147946937
6-[6-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 148701691
6-[6-(4-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 149395045
6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 149046872
6-[6-(3-fluoro-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 149026987
6-(5-cyclopropyl-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 146894540
2-[6-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
CID 137014274
6-(1-methyl-6-phenylsulfanylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 160920337
6-[7-(3,4-dihydro-2H-quinolin-1-yl)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 160641045
6-[(3-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 146858339
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937
sodium;hydride;6-methoxyquinoline-4-carboxylic acid
CID 173088597

Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 148917605) is 6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is COc1ccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)cc1.
What is the InChIKey of 6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is PJWLOKYULYKNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-28(16-4-7-18(32-3)8-5-16)17-6-9-20-23(14-17)27-29(2)24(20)15-12-21-19(25(30)31)10-11-26-22(21)13-15/h4-11,13-14H,12H2,1-3H3,(H,30,31).
What are the key properties of 6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
6-[6-(4-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-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 148917605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).