(10R)-10-(3-fluorophenyl)-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione

C14H10FN5O2 — CID 135831126

IUPAC(10R)-10-(3-fluorophenyl)-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione
SMILESO=C1C[C@H](c2cccc(F)c2)c2c(n3ncnc3[nH]c2=O)N1
InChIInChI=1S/C14H10FN5O2/c15-8-3-1-2-7(4-8)9-5-10(21)18-12-11(9)13(22)19-14-16-6-17-20(12)14/h1-4,6,9H,5H2,(H,18,21)(H,16,17,19,22)/t9-/m1/s1
InChIKeyBYSHXKWCQPVLQJ-SECBINFHSA-N
MW299.27 g/mol
LogP1.03
Rot. Bonds1

About (10R)-10-(3-fluorophenyl)-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione

(10R)-10-(3-fluorophenyl)-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione (PubChem CID 135831126) has the molecular formula C14H10FN5O2 and a molecular weight of 299.27 g/mol. Its IUPAC name is (10R)-10-(3-fluorophenyl)-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione.

Molecular Properties

Compound Name(10R)-10-(3-fluorophenyl)-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione
PubChem CID135831126
Molecular FormulaC14H10FN5O2
Molecular Weight299.27 g/mol
Exact Mass299.08
IUPAC Name(10R)-10-(3-fluorophenyl)-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione
SMILESO=C1C[C@H](c2cccc(F)c2)c2c(n3ncnc3[nH]c2=O)N1
InChIInChI=1S/C14H10FN5O2/c15-8-3-1-2-7(4-8)9-5-10(21)18-12-11(9)13(22)19-14-16-6-17-20(12)14/h1-4,6,9H,5H2,(H,18,21)(H,16,17,19,22)/t9-/m1/s1
InChIKeyBYSHXKWCQPVLQJ-SECBINFHSA-N
XLogP1.03
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (10R)-10-(3-fluorophenyl)-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione with MolForge

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Related Compounds

(10S)-10-(3-fluorophenyl)-7-methyl-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione
CID 7335808
(10R)-10-(3,4-dimethoxyphenyl)-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione
CID 135831130
(10R)-10-(3,4,5-trimethoxyphenyl)-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione
CID 135831172
10-(3,4,5-trimethoxyphenyl)-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione
CID 135413840
(10S)-10-(3,4,5-trimethoxyphenyl)-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione
CID 135831171
10-(2,3-dimethoxyphenyl)-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione
CID 135413677
(7R)-7-(3-fluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39047660
4-(3-fluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655411
(6R)-6-(3-fluorophenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione
CID 7332603
5-(3-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135621298
6-(3-chlorophenyl)-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),10,12,14,16-pentaene-4,8-dione
CID 135654348
(4S)-4-(3-fluorophenyl)-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789583

Frequently Asked Questions

What is the IUPAC name of (10R)-10-(3-fluorophenyl)-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione?
The IUPAC name of (10R)-10-(3-fluorophenyl)-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione (CID 135831126) is (10R)-10-(3-fluorophenyl)-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione.
What is the SMILES notation for (10R)-10-(3-fluorophenyl)-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione?
The canonical SMILES for (10R)-10-(3-fluorophenyl)-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione is O=C1C[C@H](c2cccc(F)c2)c2c(n3ncnc3[nH]c2=O)N1.
What is the InChIKey of (10R)-10-(3-fluorophenyl)-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione?
The InChIKey is BYSHXKWCQPVLQJ-SECBINFHSA-N. The full InChI is InChI=1S/C14H10FN5O2/c15-8-3-1-2-7(4-8)9-5-10(21)18-12-11(9)13(22)19-14-16-6-17-20(12)14/h1-4,6,9H,5H2,(H,18,21)(H,16,17,19,22)/t9-/m1/s1.
What are the key properties of (10R)-10-(3-fluorophenyl)-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione?
(10R)-10-(3-fluorophenyl)-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione has a molecular weight of 299.27 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-(3-fluorophenyl)-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-8,12-dione is sourced from PubChem (CID 135831126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).