2-cyclopentyl-4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid

C19H17FN2O2 — CID 170775192

IUPAC2-cyclopentyl-4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2c(F)cnc3[nH]ccc23)cc1C1CCCC1
InChIInChI=1S/C19H17FN2O2/c20-16-10-22-18-14(7-8-21-18)17(16)12-5-6-13(19(23)24)15(9-12)11-3-1-2-4-11/h5-11H,1-4H2,(H,21,22)(H,23,24)
InChIKeyMMJSVCQLYLYQEB-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.72
Rot. Bonds3

About 2-cyclopentyl-4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid

2-cyclopentyl-4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid (PubChem CID 170775192) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-cyclopentyl-4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid.

Molecular Properties

Compound Name2-cyclopentyl-4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid
PubChem CID170775192
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name2-cyclopentyl-4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2c(F)cnc3[nH]ccc23)cc1C1CCCC1
InChIInChI=1S/C19H17FN2O2/c20-16-10-22-18-14(7-8-21-18)17(16)12-5-6-13(19(23)24)15(9-12)11-3-1-2-4-11/h5-11H,1-4H2,(H,21,22)(H,23,24)
InChIKeyMMJSVCQLYLYQEB-UHFFFAOYSA-N
XLogP4.72
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-4-hydroxyphenyl)-[4-[3-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-1-yl]piperidin-1-yl]methanone
CID 174221162
5-fluoro-4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 67329570
2-cyclopentylterephthalic acid
CID 174865784
2-cyclopentyl-4-(5-phenyl-1H-indol-3-yl)benzoic acid
CID 53316137
2-cyclopentyl-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 164614546
3-(4-cyclohexyl-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117465772
4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 138597587
4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 138595531
N-(4-cyclononyl-1H-pyrrolo[2,3-b]pyridin-5-yl)cycloundecanecarboxamide
CID 149314243
2-cyclopentyl-4-(5-phenylpyrazolo[1,5-a]pyridin-3-yl)benzoic acid
CID 164617874
4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride
CID 138595405
4-methoxy-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 126970622

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid?
The IUPAC name of 2-cyclopentyl-4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid (CID 170775192) is 2-cyclopentyl-4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid.
What is the SMILES notation for 2-cyclopentyl-4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid?
The canonical SMILES for 2-cyclopentyl-4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid is O=C(O)c1ccc(-c2c(F)cnc3[nH]ccc23)cc1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid?
The InChIKey is MMJSVCQLYLYQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-16-10-22-18-14(7-8-21-18)17(16)12-5-6-13(19(23)24)15(9-12)11-3-1-2-4-11/h5-11H,1-4H2,(H,21,22)(H,23,24).
What are the key properties of 2-cyclopentyl-4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid?
2-cyclopentyl-4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid has a molecular weight of 324.36 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid is sourced from PubChem (CID 170775192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).