11-(3,4-difluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

C14H7F2N5O — CID 25251780

IUPAC11-(3,4-difluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESO=c1c2cnc3ncnn3c2ccn1-c1ccc(F)c(F)c1
InChIInChI=1S/C14H7F2N5O/c15-10-2-1-8(5-11(10)16)20-4-3-12-9(13(20)22)6-17-14-18-7-19-21(12)14/h1-7H
InChIKeyILOFVEASQJMVMI-UHFFFAOYSA-N
MW299.24 g/mol
LogP1.71
Rot. Bonds1

About 11-(3,4-difluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

11-(3,4-difluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 25251780) has the molecular formula C14H7F2N5O and a molecular weight of 299.24 g/mol. Its IUPAC name is 11-(3,4-difluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.

Molecular Properties

Compound Name11-(3,4-difluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID25251780
Molecular FormulaC14H7F2N5O
Molecular Weight299.24 g/mol
Exact Mass299.06
IUPAC Name11-(3,4-difluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESO=c1c2cnc3ncnn3c2ccn1-c1ccc(F)c(F)c1
InChIInChI=1S/C14H7F2N5O/c15-10-2-1-8(5-11(10)16)20-4-3-12-9(13(20)22)6-17-14-18-7-19-21(12)14/h1-7H
InChIKeyILOFVEASQJMVMI-UHFFFAOYSA-N
XLogP1.71
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-(3,4-difluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one with MolForge

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Related Compounds

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2-{[7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
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CID 708078
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CID 1226323
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CID 804064
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Frequently Asked Questions

What is the IUPAC name of 11-(3,4-difluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The IUPAC name of 11-(3,4-difluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 25251780) is 11-(3,4-difluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.
What is the SMILES notation for 11-(3,4-difluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The canonical SMILES for 11-(3,4-difluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is O=c1c2cnc3ncnn3c2ccn1-c1ccc(F)c(F)c1.
What is the InChIKey of 11-(3,4-difluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The InChIKey is ILOFVEASQJMVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2N5O/c15-10-2-1-8(5-11(10)16)20-4-3-12-9(13(20)22)6-17-14-18-7-19-21(12)14/h1-7H.
What are the key properties of 11-(3,4-difluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
11-(3,4-difluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one has a molecular weight of 299.24 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3,4-difluorophenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is sourced from PubChem (CID 25251780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).