6-(1,3-benzoxazol-6-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid

C24H14FN3O5 — CID 44547627

IUPAC6-(1,3-benzoxazol-6-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1ccc2ncoc2c1
InChIInChI=1S/C24H14FN3O5/c25-15-9-17-20(22-13(15)5-7-32-22)19(14-2-1-6-26-23(14)29)21(24(30)31)28(17)10-12-3-4-16-18(8-12)33-11-27-16/h1-9,11H,10H2,(H,26,29)(H,30,31)
InChIKeyJNFTVUHEJSMRAP-UHFFFAOYSA-N
MW443.39 g/mol
LogP4.77
Rot. Bonds4

About 6-(1,3-benzoxazol-6-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid

6-(1,3-benzoxazol-6-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 44547627) has the molecular formula C24H14FN3O5 and a molecular weight of 443.39 g/mol. Its IUPAC name is 6-(1,3-benzoxazol-6-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name6-(1,3-benzoxazol-6-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
PubChem CID44547627
Molecular FormulaC24H14FN3O5
Molecular Weight443.39 g/mol
Exact Mass443.09
IUPAC Name6-(1,3-benzoxazol-6-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1ccc2ncoc2c1
InChIInChI=1S/C24H14FN3O5/c25-15-9-17-20(22-13(15)5-7-32-22)19(14-2-1-6-26-23(14)29)21(24(30)31)28(17)10-12-3-4-16-18(8-12)33-11-27-16/h1-9,11H,10H2,(H,26,29)(H,30,31)
InChIKeyJNFTVUHEJSMRAP-UHFFFAOYSA-N
XLogP4.77
TPSA114.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.39
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzoxazol-6-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The IUPAC name of 6-(1,3-benzoxazol-6-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (CID 44547627) is 6-(1,3-benzoxazol-6-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.
What is the SMILES notation for 6-(1,3-benzoxazol-6-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for 6-(1,3-benzoxazol-6-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1ccc2ncoc2c1.
What is the InChIKey of 6-(1,3-benzoxazol-6-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The InChIKey is JNFTVUHEJSMRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14FN3O5/c25-15-9-17-20(22-13(15)5-7-32-22)19(14-2-1-6-26-23(14)29)21(24(30)31)28(17)10-12-3-4-16-18(8-12)33-11-27-16/h1-9,11H,10H2,(H,26,29)(H,30,31).
What are the key properties of 6-(1,3-benzoxazol-6-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
6-(1,3-benzoxazol-6-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 443.39 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzoxazol-6-ylmethyl)-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 44547627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).