2-cyclopentyl-4-furo[2,3-b]pyridin-3-ylbenzoic acid

C19H17NO3 — CID 164617625

IUPAC2-cyclopentyl-4-furo[2,3-b]pyridin-3-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2coc3ncccc23)cc1C1CCCC1
InChIInChI=1S/C19H17NO3/c21-19(22)15-8-7-13(10-16(15)12-4-1-2-5-12)17-11-23-18-14(17)6-3-9-20-18/h3,6-12H,1-2,4-5H2,(H,21,22)
InChIKeyBWHUZOSZDWEDHS-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.85
Rot. Bonds3

About 2-cyclopentyl-4-furo[2,3-b]pyridin-3-ylbenzoic acid

2-cyclopentyl-4-furo[2,3-b]pyridin-3-ylbenzoic acid (PubChem CID 164617625) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-cyclopentyl-4-furo[2,3-b]pyridin-3-ylbenzoic acid.

Molecular Properties

Compound Name2-cyclopentyl-4-furo[2,3-b]pyridin-3-ylbenzoic acid
PubChem CID164617625
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name2-cyclopentyl-4-furo[2,3-b]pyridin-3-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2coc3ncccc23)cc1C1CCCC1
InChIInChI=1S/C19H17NO3/c21-19(22)15-8-7-13(10-16(15)12-4-1-2-5-12)17-11-23-18-14(17)6-3-9-20-18/h3,6-12H,1-2,4-5H2,(H,21,22)
InChIKeyBWHUZOSZDWEDHS-UHFFFAOYSA-N
XLogP4.85
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Sgc-camkk2-1
CID 154700451
2-Cyclopentyl-4-(5-Phenylfuro[2,3-B]pyridin-3-Yl)benzoic Acid
CID 124222750
3-[4-(1-Furan-3-ylmethyl-1H-indol-3-yl)-piperidin-1-ylmethyl]-benzoic acid
CID 17964355
(2S)-2-[4-[4-(2-benzylfuro[2,3-b]pyridin-3-yl)phenyl]phenoxy]-3-phenylpropanoic acid
CID 10673660
(2R)-2-[(8E,17S)-2-oxo-12-oxa-1,14-diazapentacyclo[16.5.3.23,6.213,16.021,25]triaconta-3(30),4,6(29),8,13,15,18(26),19,21(25),27-decaen-17-yl]propanoic acid
CID 166177970
US11572366, Example 10
CID 129137950
US11572366, Example 9
CID 129138010
(2S)-2-[(8E,17S)-2-oxo-12-oxa-1,14-diazapentacyclo[16.5.3.23,6.213,16.021,25]triaconta-3(30),4,6(29),8,13,15,18(26),19,21(25),27-decaen-17-yl]propanoic acid
CID 166177971
methyl 4-[(3E)-1-[2-(1-benzofuran-3-yl)ethyl]-3-[hydroxy(pyridin-3-yl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate
CID 90671306
5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]pyridine-3-carboxylic acid
CID 164628376
Furo(2,3-c)isoquinoline
CID 45257578
Furo[2,3-b]pyridine, 3-(1-methylethyl)-(9CI)
CID 15274367

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-furo[2,3-b]pyridin-3-ylbenzoic acid?
The IUPAC name of 2-cyclopentyl-4-furo[2,3-b]pyridin-3-ylbenzoic acid (CID 164617625) is 2-cyclopentyl-4-furo[2,3-b]pyridin-3-ylbenzoic acid.
What is the SMILES notation for 2-cyclopentyl-4-furo[2,3-b]pyridin-3-ylbenzoic acid?
The canonical SMILES for 2-cyclopentyl-4-furo[2,3-b]pyridin-3-ylbenzoic acid is O=C(O)c1ccc(-c2coc3ncccc23)cc1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-furo[2,3-b]pyridin-3-ylbenzoic acid?
The InChIKey is BWHUZOSZDWEDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-19(22)15-8-7-13(10-16(15)12-4-1-2-5-12)17-11-23-18-14(17)6-3-9-20-18/h3,6-12H,1-2,4-5H2,(H,21,22).
What are the key properties of 2-cyclopentyl-4-furo[2,3-b]pyridin-3-ylbenzoic acid?
2-cyclopentyl-4-furo[2,3-b]pyridin-3-ylbenzoic acid has a molecular weight of 307.35 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-furo[2,3-b]pyridin-3-ylbenzoic acid is sourced from PubChem (CID 164617625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).