6-fluoro-N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide

C23H24FN3O2 — CID 25008082

IUPAC6-fluoro-N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide
SMILESCc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CCC1(CCc2cc(F)ccc21)O3
InChIInChI=1S/C23H24FN3O2/c1-13-14(2)27-12-18(22(28)26(3)4)17-8-10-23(29-20(17)21(27)25-13)9-7-15-11-16(24)5-6-19(15)23/h5-6,11-12H,7-10H2,1-4H3
InChIKeyJBCUIEXUERRWDR-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.96
Rot. Bonds1

About 6-fluoro-N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide

6-fluoro-N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide (PubChem CID 25008082) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 6-fluoro-N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide.

Molecular Properties

Compound Name6-fluoro-N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide
PubChem CID25008082
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name6-fluoro-N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide
SMILESCc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CCC1(CCc2cc(F)ccc21)O3
InChIInChI=1S/C23H24FN3O2/c1-13-14(2)27-12-18(22(28)26(3)4)17-8-10-23(29-20(17)21(27)25-13)9-7-15-11-16(24)5-6-19(15)23/h5-6,11-12H,7-10H2,1-4H3
InChIKeyJBCUIEXUERRWDR-UHFFFAOYSA-N
XLogP3.96
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide?
The IUPAC name of 6-fluoro-N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide (CID 25008082) is 6-fluoro-N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide.
What is the SMILES notation for 6-fluoro-N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide?
The canonical SMILES for 6-fluoro-N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide is Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CCC1(CCc2cc(F)ccc21)O3.
What is the InChIKey of 6-fluoro-N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide?
The InChIKey is JBCUIEXUERRWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-13-14(2)27-12-18(22(28)26(3)4)17-8-10-23(29-20(17)21(27)25-13)9-7-15-11-16(24)5-6-19(15)23/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 6-fluoro-N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide?
6-fluoro-N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N,N,4',5'-tetramethylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide is sourced from PubChem (CID 25008082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).