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

C24H13Cl2FN4O4 — CID 25173859

IUPAC6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-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)cc2n1Cc1cc2[nH]c(Cl)nc2cc1Cl
InChIInChI=1S/C24H13Cl2FN4O4/c25-13-7-16-15(29-24(26)30-16)6-10(13)9-31-17-8-14(27)11-3-5-35-21(11)19(17)18(20(31)23(33)34)12-2-1-4-28-22(12)32/h1-8H,9H2,(H,28,32)(H,29,30)(H,33,34)
InChIKeyUYMGQTLJDPWNED-UHFFFAOYSA-N
MW511.30 g/mol
LogP5.81
Rot. Bonds4

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

6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 25173859) has the molecular formula C24H13Cl2FN4O4 and a molecular weight of 511.30 g/mol. Its IUPAC name is 6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
PubChem CID25173859
Molecular FormulaC24H13Cl2FN4O4
Molecular Weight511.30 g/mol
Exact Mass510.03
IUPAC Name6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-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)cc2n1Cc1cc2[nH]c(Cl)nc2cc1Cl
InChIInChI=1S/C24H13Cl2FN4O4/c25-13-7-16-15(29-24(26)30-16)6-10(13)9-31-17-8-14(27)11-3-5-35-21(11)19(17)18(20(31)23(33)34)12-2-1-4-28-22(12)32/h1-8H,9H2,(H,28,32)(H,29,30)(H,33,34)
InChIKeyUYMGQTLJDPWNED-UHFFFAOYSA-N
XLogP5.81
TPSA116.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.30
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The IUPAC name of 6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (CID 25173859) is 6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.
What is the SMILES notation for 6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for 6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-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)cc2n1Cc1cc2[nH]c(Cl)nc2cc1Cl.
What is the InChIKey of 6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The InChIKey is UYMGQTLJDPWNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13Cl2FN4O4/c25-13-7-16-15(29-24(26)30-16)6-10(13)9-31-17-8-14(27)11-3-5-35-21(11)19(17)18(20(31)23(33)34)12-2-1-4-28-22(12)32/h1-8H,9H2,(H,28,32)(H,29,30)(H,33,34).
What are the key properties of 6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 511.30 g/mol, XLogP of 5.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 25173859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).