6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide

C23H22FN5O5 — CID 54748843

IUPAC6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide
SMILESO=C(NCCN1CCNC1=O)c1c(O)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)CCO3
InChIInChI=1S/C23H22FN5O5/c24-15-3-1-13(2-4-15)11-14-12-27-17-18-20(14)34-10-9-29(18)22(32)16(19(17)30)21(31)25-5-7-28-8-6-26-23(28)33/h1-4,12,30H,5-11H2,(H,25,31)(H,26,33)
InChIKeyFAPNHGNTVLUDPD-UHFFFAOYSA-N
MW467.46 g/mol
LogP0.98
Rot. Bonds6

About 6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide

6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide (PubChem CID 54748843) has the molecular formula C23H22FN5O5 and a molecular weight of 467.46 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide
PubChem CID54748843
Molecular FormulaC23H22FN5O5
Molecular Weight467.46 g/mol
Exact Mass467.16
IUPAC Name6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide
SMILESO=C(NCCN1CCNC1=O)c1c(O)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)CCO3
InChIInChI=1S/C23H22FN5O5/c24-15-3-1-13(2-4-15)11-14-12-27-17-18-20(14)34-10-9-29(18)22(32)16(19(17)30)21(31)25-5-7-28-8-6-26-23(28)33/h1-4,12,30H,5-11H2,(H,25,31)(H,26,33)
InChIKeyFAPNHGNTVLUDPD-UHFFFAOYSA-N
XLogP0.98
TPSA125.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.46
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide
CID 54748852
6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxy-2-methylpropyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide
CID 54748777
(3S)-6-[(4-fluorophenyl)methyl]-10-hydroxy-11-N-(2-hydroxyethyl)-3-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-3,11-dicarboxamide
CID 54748829
(3S)-6-[(4-fluorophenyl)methyl]-10-hydroxy-11-N-(2-methoxyethyl)-3-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-3,11-dicarboxamide
CID 66661446
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
CID 69482646
(3R)-6-[(4-fluorophenyl)methyl]-10-hydroxy-11-N-(2-hydroxyethyl)-3-methyl-12-oxo-3-N-(2,2,2-trifluoroethyl)-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-3,11-dicarboxamide
CID 59158536
(3R)-6-[(4-fluorophenyl)methyl]-10-hydroxy-3-N,11-N-dimethyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-3,11-dicarboxamide
CID 54748804
(3R)-6-[(4-fluorophenyl)methyl]-10-hydroxy-3-N-(2-methoxyethyl)-11-N,3-dimethyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-3,11-dicarboxamide
CID 59158409
(3R)-6-[(4-fluorophenyl)methyl]-10-hydroxy-3-N,3-dimethyl-12-oxo-11-N-(trideuteriomethyl)-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-3,11-dicarboxamide
CID 59158359
6-[(4-fluorophenyl)methyl]-10-hydroxy-3-N,3-N,11-N-trimethyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-3,11-dicarboxamide
CID 54748803
12,12-difluoro-8-[(4-fluorophenyl)methyl]-4-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxamide
CID 59158422
6-[(4-fluorophenyl)methyl]-10-hydroxy-3-[2-[(2-hydroxy-2-methylpropyl)amino]acetyl]-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide
CID 91155885

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide (CID 54748843) is 6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide is O=C(NCCN1CCNC1=O)c1c(O)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)CCO3.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide?
The InChIKey is FAPNHGNTVLUDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O5/c24-15-3-1-13(2-4-15)11-14-12-27-17-18-20(14)34-10-9-29(18)22(32)16(19(17)30)21(31)25-5-7-28-8-6-26-23(28)33/h1-4,12,30H,5-11H2,(H,25,31)(H,26,33).
What are the key properties of 6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide?
6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide has a molecular weight of 467.46 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide is sourced from PubChem (CID 54748843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).