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

C28H23F2N5O4 — CID 58371589

IUPAC2-(dimethylamino)ethyl 4-fluoro-6-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate
SMILESCN(C)CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]cnc2cc1F
InChIInChI=1S/C28H23F2N5O4/c1-34(2)7-9-39-28(37)25-23(17-4-3-6-31-27(17)36)24-22(12-19(30)16-5-8-38-26(16)24)35(25)13-15-10-20-21(11-18(15)29)33-14-32-20/h3-6,8,10-12,14H,7,9,13H2,1-2H3,(H,31,36)(H,32,33)
InChIKeyVZILEKYEAUMIJT-UHFFFAOYSA-N
MW531.52 g/mol
LogP4.66
Rot. Bonds7

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

2-(dimethylamino)ethyl 4-fluoro-6-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate (PubChem CID 58371589) has the molecular formula C28H23F2N5O4 and a molecular weight of 531.52 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-fluoro-6-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 4-fluoro-6-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate
PubChem CID58371589
Molecular FormulaC28H23F2N5O4
Molecular Weight531.52 g/mol
Exact Mass531.17
IUPAC Name2-(dimethylamino)ethyl 4-fluoro-6-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate
SMILESCN(C)CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]cnc2cc1F
InChIInChI=1S/C28H23F2N5O4/c1-34(2)7-9-39-28(37)25-23(17-4-3-6-31-27(17)36)24-22(12-19(30)16-5-8-38-26(16)24)35(25)13-15-10-20-21(11-18(15)29)33-14-32-20/h3-6,8,10-12,14H,7,9,13H2,1-2H3,(H,31,36)(H,32,33)
InChIKeyVZILEKYEAUMIJT-UHFFFAOYSA-N
XLogP4.66
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.52
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(dimethylamino)ethyl 4-fluoro-6-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate 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 2-(dimethylamino)ethyl 4-fluoro-6-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 4-fluoro-6-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate (CID 58371589) is 2-(dimethylamino)ethyl 4-fluoro-6-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 4-fluoro-6-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 4-fluoro-6-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate is CN(C)CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]cnc2cc1F.
What is the InChIKey of 2-(dimethylamino)ethyl 4-fluoro-6-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?
The InChIKey is VZILEKYEAUMIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F2N5O4/c1-34(2)7-9-39-28(37)25-23(17-4-3-6-31-27(17)36)24-22(12-19(30)16-5-8-38-26(16)24)35(25)13-15-10-20-21(11-18(15)29)33-14-32-20/h3-6,8,10-12,14H,7,9,13H2,1-2H3,(H,31,36)(H,32,33).
What are the key properties of 2-(dimethylamino)ethyl 4-fluoro-6-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?
2-(dimethylamino)ethyl 4-fluoro-6-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate has a molecular weight of 531.52 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 4-fluoro-6-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate is sourced from PubChem (CID 58371589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).