3-(2-chlorophenyl)-11-fluoro-12-(2-morpholin-4-ylpyrimidin-5-yl)-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene

C24H21ClFN5O2 — CID 118152484

IUPAC3-(2-chlorophenyl)-11-fluoro-12-(2-morpholin-4-ylpyrimidin-5-yl)-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
SMILESFc1cc2nc3c(n2cc1-c1cnc(N2CCOCC2)nc1)C(c1ccccc1Cl)OCC3
InChIInChI=1S/C24H21ClFN5O2/c25-18-4-2-1-3-16(18)23-22-20(5-8-33-23)29-21-11-19(26)17(14-31(21)22)15-12-27-24(28-13-15)30-6-9-32-10-7-30/h1-4,11-14,23H,5-10H2
InChIKeyJDTLCJJUYQNDLK-UHFFFAOYSA-N
MW465.92 g/mol
LogP4.08
Rot. Bonds3

About 3-(2-chlorophenyl)-11-fluoro-12-(2-morpholin-4-ylpyrimidin-5-yl)-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene

3-(2-chlorophenyl)-11-fluoro-12-(2-morpholin-4-ylpyrimidin-5-yl)-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene (PubChem CID 118152484) has the molecular formula C24H21ClFN5O2 and a molecular weight of 465.92 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-11-fluoro-12-(2-morpholin-4-ylpyrimidin-5-yl)-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene.

Molecular Properties

Compound Name3-(2-chlorophenyl)-11-fluoro-12-(2-morpholin-4-ylpyrimidin-5-yl)-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
PubChem CID118152484
Molecular FormulaC24H21ClFN5O2
Molecular Weight465.92 g/mol
Exact Mass465.14
IUPAC Name3-(2-chlorophenyl)-11-fluoro-12-(2-morpholin-4-ylpyrimidin-5-yl)-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
SMILESFc1cc2nc3c(n2cc1-c1cnc(N2CCOCC2)nc1)C(c1ccccc1Cl)OCC3
InChIInChI=1S/C24H21ClFN5O2/c25-18-4-2-1-3-16(18)23-22-20(5-8-33-23)29-21-11-19(26)17(14-31(21)22)15-12-27-24(28-13-15)30-6-9-32-10-7-30/h1-4,11-14,23H,5-10H2
InChIKeyJDTLCJJUYQNDLK-UHFFFAOYSA-N
XLogP4.08
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.92
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(2-chlorophenyl)-11-fluoro-12-(2-morpholin-4-ylpyrimidin-5-yl)-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene 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-(2-chlorophenyl)-11-fluoro-12-(2-morpholin-4-ylpyrimidin-5-yl)-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
The IUPAC name of 3-(2-chlorophenyl)-11-fluoro-12-(2-morpholin-4-ylpyrimidin-5-yl)-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene (CID 118152484) is 3-(2-chlorophenyl)-11-fluoro-12-(2-morpholin-4-ylpyrimidin-5-yl)-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene.
What is the SMILES notation for 3-(2-chlorophenyl)-11-fluoro-12-(2-morpholin-4-ylpyrimidin-5-yl)-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
The canonical SMILES for 3-(2-chlorophenyl)-11-fluoro-12-(2-morpholin-4-ylpyrimidin-5-yl)-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene is Fc1cc2nc3c(n2cc1-c1cnc(N2CCOCC2)nc1)C(c1ccccc1Cl)OCC3.
What is the InChIKey of 3-(2-chlorophenyl)-11-fluoro-12-(2-morpholin-4-ylpyrimidin-5-yl)-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
The InChIKey is JDTLCJJUYQNDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O2/c25-18-4-2-1-3-16(18)23-22-20(5-8-33-23)29-21-11-19(26)17(14-31(21)22)15-12-27-24(28-13-15)30-6-9-32-10-7-30/h1-4,11-14,23H,5-10H2.
What are the key properties of 3-(2-chlorophenyl)-11-fluoro-12-(2-morpholin-4-ylpyrimidin-5-yl)-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
3-(2-chlorophenyl)-11-fluoro-12-(2-morpholin-4-ylpyrimidin-5-yl)-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene has a molecular weight of 465.92 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-11-fluoro-12-(2-morpholin-4-ylpyrimidin-5-yl)-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene is sourced from PubChem (CID 118152484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).