4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)furo[2,3-e]indole-7-carboxylic acid

C24H15FN4O4 — CID 58371516

IUPAC4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)furo[2,3-e]indole-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cnc2[nH]ccc2c1
InChIInChI=1S/C24H15FN4O4/c25-16-9-17-19(21-14(16)4-7-33-21)18(15-2-1-5-27-23(15)30)20(24(31)32)29(17)11-12-8-13-3-6-26-22(13)28-10-12/h1-10H,11H2,(H,26,28)(H,27,30)(H,31,32)
InChIKeyGGFRBZUHNLZVDZ-UHFFFAOYSA-N
MW442.41 g/mol
LogP4.50
Rot. Bonds4

About 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)furo[2,3-e]indole-7-carboxylic acid

4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 58371516) has the molecular formula C24H15FN4O4 and a molecular weight of 442.41 g/mol. Its IUPAC name is 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)furo[2,3-e]indole-7-carboxylic acid
PubChem CID58371516
Molecular FormulaC24H15FN4O4
Molecular Weight442.41 g/mol
Exact Mass442.11
IUPAC Name4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)furo[2,3-e]indole-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cnc2[nH]ccc2c1
InChIInChI=1S/C24H15FN4O4/c25-16-9-17-19(21-14(16)4-7-33-21)18(15-2-1-5-27-23(15)30)20(24(31)32)29(17)11-12-8-13-3-6-26-22(13)28-10-12/h1-10H,11H2,(H,26,28)(H,27,30)(H,31,32)
InChIKeyGGFRBZUHNLZVDZ-UHFFFAOYSA-N
XLogP4.50
TPSA116.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.41
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)furo[2,3-e]indole-7-carboxylic acid?
The IUPAC name of 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)furo[2,3-e]indole-7-carboxylic acid (CID 58371516) is 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)furo[2,3-e]indole-7-carboxylic acid.
What is the SMILES notation for 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)furo[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)furo[2,3-e]indole-7-carboxylic acid is O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cnc2[nH]ccc2c1.
What is the InChIKey of 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)furo[2,3-e]indole-7-carboxylic acid?
The InChIKey is GGFRBZUHNLZVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN4O4/c25-16-9-17-19(21-14(16)4-7-33-21)18(15-2-1-5-27-23(15)30)20(24(31)32)29(17)11-12-8-13-3-6-26-22(13)28-10-12/h1-10H,11H2,(H,26,28)(H,27,30)(H,31,32).
What are the key properties of 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)furo[2,3-e]indole-7-carboxylic acid?
4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 442.41 g/mol, XLogP of 4.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 58371516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).