2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid

C26H23NO3 — CID 154700451

IUPAC2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid
SMILESCc1cccc(-c2cnc3occ(-c4ccc(C(=O)O)c(C5CCCC5)c4)c3c2)c1
InChIInChI=1S/C26H23NO3/c1-16-5-4-8-18(11-16)20-13-23-24(15-30-25(23)27-14-20)19-9-10-21(26(28)29)22(12-19)17-6-2-3-7-17/h4-5,8-15,17H,2-3,6-7H2,1H3,(H,28,29)
InChIKeyTXIYVFVMXNFNRX-UHFFFAOYSA-N
MW397.47 g/mol
LogP6.83
Rot. Bonds4

About 2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid

2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid (PubChem CID 154700451) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is 2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid.

Molecular Properties

Compound Name2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid
PubChem CID154700451
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC Name2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid
SMILESCc1cccc(-c2cnc3occ(-c4ccc(C(=O)O)c(C5CCCC5)c4)c3c2)c1
InChIInChI=1S/C26H23NO3/c1-16-5-4-8-18(11-16)20-13-23-24(15-30-25(23)27-14-20)19-9-10-21(26(28)29)22(12-19)17-6-2-3-7-17/h4-5,8-15,17H,2-3,6-7H2,1H3,(H,28,29)
InChIKeyTXIYVFVMXNFNRX-UHFFFAOYSA-N
XLogP6.83
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid?
The IUPAC name of 2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid (CID 154700451) is 2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid.
What is the SMILES notation for 2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid?
The canonical SMILES for 2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid is Cc1cccc(-c2cnc3occ(-c4ccc(C(=O)O)c(C5CCCC5)c4)c3c2)c1.
What is the InChIKey of 2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid?
The InChIKey is TXIYVFVMXNFNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3/c1-16-5-4-8-18(11-16)20-13-23-24(15-30-25(23)27-14-20)19-9-10-21(26(28)29)22(12-19)17-6-2-3-7-17/h4-5,8-15,17H,2-3,6-7H2,1H3,(H,28,29).
What are the key properties of 2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid?
2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid has a molecular weight of 397.47 g/mol, XLogP of 6.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-[5-(3-methylphenyl)furo[2,3-b]pyridin-3-yl]benzoic acid is sourced from PubChem (CID 154700451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).