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

C24H15ClFN5O4 — CID 25173786

IUPAC6-[(2-amino-6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESNc1nc2cc(Cl)c(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)cc2[nH]1
InChIInChI=1S/C24H15ClFN5O4/c25-13-7-16-15(29-24(27)30-16)6-10(13)9-31-17-8-14(26)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,33,34)(H3,27,29,30)
InChIKeyDJUFYVYRDZSGPT-UHFFFAOYSA-N
MW491.87 g/mol
LogP4.74
Rot. Bonds4

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

6-[(2-amino-6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 25173786) has the molecular formula C24H15ClFN5O4 and a molecular weight of 491.87 g/mol. Its IUPAC name is 6-[(2-amino-6-chloro-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-amino-6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
PubChem CID25173786
Molecular FormulaC24H15ClFN5O4
Molecular Weight491.87 g/mol
Exact Mass491.08
IUPAC Name6-[(2-amino-6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESNc1nc2cc(Cl)c(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)cc2[nH]1
InChIInChI=1S/C24H15ClFN5O4/c25-13-7-16-15(29-24(27)30-16)6-10(13)9-31-17-8-14(26)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,33,34)(H3,27,29,30)
InChIKeyDJUFYVYRDZSGPT-UHFFFAOYSA-N
XLogP4.74
TPSA142.93 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.87
LogP ≤ 54.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-6-chloro-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-amino-6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (CID 25173786) is 6-[(2-amino-6-chloro-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-amino-6-chloro-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-amino-6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is Nc1nc2cc(Cl)c(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)cc2[nH]1.
What is the InChIKey of 6-[(2-amino-6-chloro-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 DJUFYVYRDZSGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClFN5O4/c25-13-7-16-15(29-24(27)30-16)6-10(13)9-31-17-8-14(26)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,33,34)(H3,27,29,30).
What are the key properties of 6-[(2-amino-6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
6-[(2-amino-6-chloro-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 491.87 g/mol, XLogP of 4.74, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-6-chloro-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 25173786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).