6-(1-methyl-6-phenylsulfanylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid

C23H17N3O2S — CID 160920337

IUPAC6-(1-methyl-6-phenylsulfanylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCn1nc(C2=Cc3nccc(C(=O)O)c3C2)c2ccc(Sc3ccccc3)cc21
InChIInChI=1S/C23H17N3O2S/c1-26-21-13-16(29-15-5-3-2-4-6-15)7-8-18(21)22(25-26)14-11-19-17(23(27)28)9-10-24-20(19)12-14/h2-10,12-13H,11H2,1H3,(H,27,28)
InChIKeySRYDJQMHCGQWDD-UHFFFAOYSA-N
MW399.48 g/mol
LogP4.91
Rot. Bonds4

About 6-(1-methyl-6-phenylsulfanylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid

6-(1-methyl-6-phenylsulfanylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 160920337) has the molecular formula C23H17N3O2S and a molecular weight of 399.48 g/mol. Its IUPAC name is 6-(1-methyl-6-phenylsulfanylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(1-methyl-6-phenylsulfanylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID160920337
Molecular FormulaC23H17N3O2S
Molecular Weight399.48 g/mol
Exact Mass399.10
IUPAC Name6-(1-methyl-6-phenylsulfanylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCn1nc(C2=Cc3nccc(C(=O)O)c3C2)c2ccc(Sc3ccccc3)cc21
InChIInChI=1S/C23H17N3O2S/c1-26-21-13-16(29-15-5-3-2-4-6-15)7-8-18(21)22(25-26)14-11-19-17(23(27)28)9-10-24-20(19)12-14/h2-10,12-13H,11H2,1H3,(H,27,28)
InChIKeySRYDJQMHCGQWDD-UHFFFAOYSA-N
XLogP4.91
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(1-methyl-6-phenylsulfanylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid with MolForge

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Related Compounds

6-[6-(3-fluoro-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 149026987
6-[2-methyl-7-(4-methylphenyl)sulfanylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 157464355
6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 149046872
6-[6-(4-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 147946937
6-(5-cyclopropyl-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 146894540
6-[6-(4-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 149395045
6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 148917605
6-[7-(3,4-dihydro-2H-quinolin-1-yl)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 160641045
6-[6-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 148701691
6-ethyl-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 160512753
6-[(3-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 146858339
6-(4-fluoro-3-methylphenoxy)-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 153232939

Frequently Asked Questions

What is the IUPAC name of 6-(1-methyl-6-phenylsulfanylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(1-methyl-6-phenylsulfanylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 160920337) is 6-(1-methyl-6-phenylsulfanylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(1-methyl-6-phenylsulfanylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(1-methyl-6-phenylsulfanylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid is Cn1nc(C2=Cc3nccc(C(=O)O)c3C2)c2ccc(Sc3ccccc3)cc21.
What is the InChIKey of 6-(1-methyl-6-phenylsulfanylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is SRYDJQMHCGQWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2S/c1-26-21-13-16(29-15-5-3-2-4-6-15)7-8-18(21)22(25-26)14-11-19-17(23(27)28)9-10-24-20(19)12-14/h2-10,12-13H,11H2,1H3,(H,27,28).
What are the key properties of 6-(1-methyl-6-phenylsulfanylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid?
6-(1-methyl-6-phenylsulfanylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 399.48 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methyl-6-phenylsulfanylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 160920337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).