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

C20H17N3O2 — CID 146894540

IUPAC6-(5-cyclopropyl-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCn1nc2ccc(C3CC3)cc2c1C1=Cc2nccc(C(=O)O)c2C1
InChIInChI=1S/C20H17N3O2/c1-23-19(16-8-12(11-2-3-11)4-5-17(16)22-23)13-9-15-14(20(24)25)6-7-21-18(15)10-13/h4-8,10-11H,2-3,9H2,1H3,(H,24,25)
InChIKeyTWJKKIJFKIVFGQ-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.64
Rot. Bonds3

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

6-(5-cyclopropyl-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 146894540) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 6-(5-cyclopropyl-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(5-cyclopropyl-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID146894540
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name6-(5-cyclopropyl-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCn1nc2ccc(C3CC3)cc2c1C1=Cc2nccc(C(=O)O)c2C1
InChIInChI=1S/C20H17N3O2/c1-23-19(16-8-12(11-2-3-11)4-5-17(16)22-23)13-9-15-14(20(24)25)6-7-21-18(15)10-13/h4-8,10-11H,2-3,9H2,1H3,(H,24,25)
InChIKeyTWJKKIJFKIVFGQ-UHFFFAOYSA-N
XLogP3.64
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[6-(4-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 147946937
6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 148917605
6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 149046872
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
6-(1-methyl-6-phenylsulfanylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 160920337
6-[6-(3-fluoro-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 149026987
6-[(3R)-oxolan-3-yl]quinoline-4-carboxylic acid
CID 170633420
6-(oxolan-3-yl)quinoline-4-carboxylic acid
CID 175960371
6-[(2R)-oxolan-2-yl]quinoline-4-carboxylic acid
CID 170633352

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyclopropyl-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(5-cyclopropyl-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 146894540) is 6-(5-cyclopropyl-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(5-cyclopropyl-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(5-cyclopropyl-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid is Cn1nc2ccc(C3CC3)cc2c1C1=Cc2nccc(C(=O)O)c2C1.
What is the InChIKey of 6-(5-cyclopropyl-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is TWJKKIJFKIVFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-23-19(16-8-12(11-2-3-11)4-5-17(16)22-23)13-9-15-14(20(24)25)6-7-21-18(15)10-13/h4-8,10-11H,2-3,9H2,1H3,(H,24,25).
What are the key properties of 6-(5-cyclopropyl-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid?
6-(5-cyclopropyl-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 331.38 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyclopropyl-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 146894540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).