3-N,3-N-diethyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-11-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-3,11-dicarboxamide

C24H23FN4O5 — CID 54748820

IUPAC3-N,3-N-diethyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-11-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-3,11-dicarboxamide
SMILESCCN(CC)C(=O)C1=Cn2c(=O)c(C(=O)NC)c(O)c3ncc(Cc4ccc(F)cc4)c(c32)O1
InChIInChI=1S/C24H23FN4O5/c1-4-28(5-2)23(32)16-12-29-19-18(20(30)17(24(29)33)22(31)26-3)27-11-14(21(19)34-16)10-13-6-8-15(25)9-7-13/h6-9,11-12,30H,4-5,10H2,1-3H3,(H,26,31)
InChIKeyMVBMKPFZICOIDB-UHFFFAOYSA-N
MW466.47 g/mol
LogP2.25
Rot. Bonds6

About 3-N,3-N-diethyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-11-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-3,11-dicarboxamide

3-N,3-N-diethyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-11-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-3,11-dicarboxamide (PubChem CID 54748820) has the molecular formula C24H23FN4O5 and a molecular weight of 466.47 g/mol. Its IUPAC name is 3-N,3-N-diethyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-11-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-3,11-dicarboxamide.

Molecular Properties

Compound Name3-N,3-N-diethyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-11-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-3,11-dicarboxamide
PubChem CID54748820
Molecular FormulaC24H23FN4O5
Molecular Weight466.47 g/mol
Exact Mass466.17
IUPAC Name3-N,3-N-diethyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-11-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-3,11-dicarboxamide
SMILESCCN(CC)C(=O)C1=Cn2c(=O)c(C(=O)NC)c(O)c3ncc(Cc4ccc(F)cc4)c(c32)O1
InChIInChI=1S/C24H23FN4O5/c1-4-28(5-2)23(32)16-12-29-19-18(20(30)17(24(29)33)22(31)26-3)27-11-14(21(19)34-16)10-13-6-8-15(25)9-7-13/h6-9,11-12,30H,4-5,10H2,1-3H3,(H,26,31)
InChIKeyMVBMKPFZICOIDB-UHFFFAOYSA-N
XLogP2.25
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-N,3-N-diethyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-11-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-3,11-dicarboxamide 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 3-N,3-N-diethyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-11-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-3,11-dicarboxamide?
The IUPAC name of 3-N,3-N-diethyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-11-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-3,11-dicarboxamide (CID 54748820) is 3-N,3-N-diethyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-11-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-3,11-dicarboxamide.
What is the SMILES notation for 3-N,3-N-diethyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-11-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-3,11-dicarboxamide?
The canonical SMILES for 3-N,3-N-diethyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-11-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-3,11-dicarboxamide is CCN(CC)C(=O)C1=Cn2c(=O)c(C(=O)NC)c(O)c3ncc(Cc4ccc(F)cc4)c(c32)O1.
What is the InChIKey of 3-N,3-N-diethyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-11-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-3,11-dicarboxamide?
The InChIKey is MVBMKPFZICOIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O5/c1-4-28(5-2)23(32)16-12-29-19-18(20(30)17(24(29)33)22(31)26-3)27-11-14(21(19)34-16)10-13-6-8-15(25)9-7-13/h6-9,11-12,30H,4-5,10H2,1-3H3,(H,26,31).
What are the key properties of 3-N,3-N-diethyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-11-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-3,11-dicarboxamide?
3-N,3-N-diethyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-11-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-3,11-dicarboxamide has a molecular weight of 466.47 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-11-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene-3,11-dicarboxamide is sourced from PubChem (CID 54748820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).