(2-fluorophenyl)-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone

C17H14FN3O — CID 110872524

IUPAC(2-fluorophenyl)-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone
SMILESO=C(c1ccccc1F)N1CCc2nc3ccccn3c2C1
InChIInChI=1S/C17H14FN3O/c18-13-6-2-1-5-12(13)17(22)20-10-8-14-15(11-20)21-9-4-3-7-16(21)19-14/h1-7,9H,8,10-11H2
InChIKeyOLRNLWBLXSPOFO-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.67
Rot. Bonds1

About (2-fluorophenyl)-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone

(2-fluorophenyl)-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone (PubChem CID 110872524) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is (2-fluorophenyl)-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone
PubChem CID110872524
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name(2-fluorophenyl)-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone
SMILESO=C(c1ccccc1F)N1CCc2nc3ccccn3c2C1
InChIInChI=1S/C17H14FN3O/c18-13-6-2-1-5-12(13)17(22)20-10-8-14-15(11-20)21-9-4-3-7-16(21)19-14/h1-7,9H,8,10-11H2
InChIKeyOLRNLWBLXSPOFO-UHFFFAOYSA-N
XLogP2.67
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

furan-2-yl(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone
CID 110872518
1,3-benzodioxol-5-yl(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone
CID 110867078
3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
CID 669198
N-[[3-ethyl-5-(2-fluorobenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
CID 71836358
methyl 5-(2-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
CID 66609439
N-[5-(2-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531115
1-(12-fluoro-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)ethanone
CID 114239261
(2-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 90571769
(2-fluorophenyl)-[3-(propan-2-yldiazenyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone
CID 54103637
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(2-fluorophenyl)methanone
CID 46183912
5-(2-fluorobenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 134787719

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone (CID 110872524) is (2-fluorophenyl)-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone is O=C(c1ccccc1F)N1CCc2nc3ccccn3c2C1.
What is the InChIKey of (2-fluorophenyl)-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone?
The InChIKey is OLRNLWBLXSPOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c18-13-6-2-1-5-12(13)17(22)20-10-8-14-15(11-20)21-9-4-3-7-16(21)19-14/h1-7,9H,8,10-11H2.
What are the key properties of (2-fluorophenyl)-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone?
(2-fluorophenyl)-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone has a molecular weight of 295.32 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone is sourced from PubChem (CID 110872524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).