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

C24H14F2N4O5 — CID 44549053

IUPAC4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-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)cc2n1Cc1cc2[nH]c(=O)[nH]c2cc1F
InChIInChI=1S/C24H14F2N4O5/c25-13-7-16-15(28-24(34)29-16)6-10(13)9-30-17-8-14(26)11-3-5-35-21(11)19(17)18(20(30)23(32)33)12-2-1-4-27-22(12)31/h1-8H,9H2,(H,27,31)(H,32,33)(H2,28,29,34)
InChIKeyIQYQIFWKMHGAAL-UHFFFAOYSA-N
MW476.40 g/mol
LogP3.94
Rot. Bonds4

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

4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 44549053) has the molecular formula C24H14F2N4O5 and a molecular weight of 476.40 g/mol. Its IUPAC name is 4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
PubChem CID44549053
Molecular FormulaC24H14F2N4O5
Molecular Weight476.40 g/mol
Exact Mass476.09
IUPAC Name4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-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)cc2n1Cc1cc2[nH]c(=O)[nH]c2cc1F
InChIInChI=1S/C24H14F2N4O5/c25-13-7-16-15(28-24(34)29-16)6-10(13)9-30-17-8-14(26)11-3-5-35-21(11)19(17)18(20(30)23(32)33)12-2-1-4-27-22(12)31/h1-8H,9H2,(H,27,31)(H,32,33)(H2,28,29,34)
InChIKeyIQYQIFWKMHGAAL-UHFFFAOYSA-N
XLogP3.94
TPSA136.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.40
LogP ≤ 53.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The IUPAC name of 4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (CID 44549053) is 4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.
What is the SMILES notation for 4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for 4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-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)cc2n1Cc1cc2[nH]c(=O)[nH]c2cc1F.
What is the InChIKey of 4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The InChIKey is IQYQIFWKMHGAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F2N4O5/c25-13-7-16-15(28-24(34)29-16)6-10(13)9-30-17-8-14(26)11-3-5-35-21(11)19(17)18(20(30)23(32)33)12-2-1-4-27-22(12)31/h1-8H,9H2,(H,27,31)(H,32,33)(H2,28,29,34).
What are the key properties of 4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 476.40 g/mol, XLogP of 3.94, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 44549053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).