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

C30H25ClFN5O5 — CID 44546877

IUPAC2-morpholin-4-ylethyl 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(OCCN1CCOCC1)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]cnc2cc1Cl
InChIInChI=1S/C30H25ClFN5O5/c31-20-13-23-22(34-16-35-23)12-17(20)15-37-24-14-21(32)18-3-8-41-28(18)26(24)25(19-2-1-4-33-29(19)38)27(37)30(39)42-11-7-36-5-9-40-10-6-36/h1-4,8,12-14,16H,5-7,9-11,15H2,(H,33,38)(H,34,35)
InChIKeyKWPZKPBXFUWSCV-UHFFFAOYSA-N
MW590.01 g/mol
LogP4.95
Rot. Bonds7

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

2-morpholin-4-ylethyl 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 44546877) has the molecular formula C30H25ClFN5O5 and a molecular weight of 590.01 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 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 Name2-morpholin-4-ylethyl 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 CID44546877
Molecular FormulaC30H25ClFN5O5
Molecular Weight590.01 g/mol
Exact Mass589.15
IUPAC Name2-morpholin-4-ylethyl 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(OCCN1CCOCC1)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]cnc2cc1Cl
InChIInChI=1S/C30H25ClFN5O5/c31-20-13-23-22(34-16-35-23)12-17(20)15-37-24-14-21(32)18-3-8-41-28(18)26(24)25(19-2-1-4-33-29(19)38)27(37)30(39)42-11-7-36-5-9-40-10-6-36/h1-4,8,12-14,16H,5-7,9-11,15H2,(H,33,38)(H,34,35)
InChIKeyKWPZKPBXFUWSCV-UHFFFAOYSA-N
XLogP4.95
TPSA118.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.01
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-morpholin-4-ylethyl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-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-morpholin-4-ylethyl 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 2-morpholin-4-ylethyl 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 44546877) is 2-morpholin-4-ylethyl 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 2-morpholin-4-ylethyl 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 2-morpholin-4-ylethyl 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(OCCN1CCOCC1)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]cnc2cc1Cl.
What is the InChIKey of 2-morpholin-4-ylethyl 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 KWPZKPBXFUWSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClFN5O5/c31-20-13-23-22(34-16-35-23)12-17(20)15-37-24-14-21(32)18-3-8-41-28(18)26(24)25(19-2-1-4-33-29(19)38)27(37)30(39)42-11-7-36-5-9-40-10-6-36/h1-4,8,12-14,16H,5-7,9-11,15H2,(H,33,38)(H,34,35).
What are the key properties of 2-morpholin-4-ylethyl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?
2-morpholin-4-ylethyl 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 590.01 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 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 44546877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).