sodium 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate

C24H13ClFN4NaO4 — CID 73057702

IUPACsodium 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate
SMILESO=C([O-])c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]cnc2cc1Cl.[Na+]
InChIInChI=1S/C24H14ClFN4O4.Na/c25-14-7-17-16(28-10-29-17)6-11(14)9-30-18-8-15(26)12-3-5-34-22(12)20(18)19(21(30)24(32)33)13-2-1-4-27-23(13)31;/h1-8,10H,9H2,(H,27,31)(H,28,29)(H,32,33);/q;+1/p-1
InChIKeyOJPSFHWZRJUILL-UHFFFAOYSA-M
MW498.83 g/mol
LogP0.83
Rot. Bonds4

About sodium 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate

sodium 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate (PubChem CID 73057702) has the molecular formula C24H13ClFN4NaO4 and a molecular weight of 498.83 g/mol. Its IUPAC name is sodium 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate.

Molecular Properties

Compound Namesodium 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate
PubChem CID73057702
Molecular FormulaC24H13ClFN4NaO4
Molecular Weight498.83 g/mol
Exact Mass498.05
IUPAC Namesodium 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate
SMILESO=C([O-])c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]cnc2cc1Cl.[Na+]
InChIInChI=1S/C24H14ClFN4O4.Na/c25-14-7-17-16(28-10-29-17)6-11(14)9-30-18-8-15(26)12-3-5-34-22(12)20(18)19(21(30)24(32)33)13-2-1-4-27-23(13)31;/h1-8,10H,9H2,(H,27,31)(H,28,29)(H,32,33);/q;+1/p-1
InChIKeyOJPSFHWZRJUILL-UHFFFAOYSA-M
XLogP0.83
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.83
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of sodium 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?
The IUPAC name of sodium 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate (CID 73057702) is sodium 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate.
What is the SMILES notation for sodium 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?
The canonical SMILES for sodium 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate is O=C([O-])c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]cnc2cc1Cl.[Na+].
What is the InChIKey of sodium 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?
The InChIKey is OJPSFHWZRJUILL-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H14ClFN4O4.Na/c25-14-7-17-16(28-10-29-17)6-11(14)9-30-18-8-15(26)12-3-5-34-22(12)20(18)19(21(30)24(32)33)13-2-1-4-27-23(13)31;/h1-8,10H,9H2,(H,27,31)(H,28,29)(H,32,33);/q;+1/p-1.
What are the key properties of sodium 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?
sodium 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate has a molecular weight of 498.83 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate is sourced from PubChem (CID 73057702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).