5-[(4-fluorophenyl)methyl]-11-pyridin-4-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione

C20H14FN5O2 — CID 142565222

IUPAC5-[(4-fluorophenyl)methyl]-11-pyridin-4-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione
SMILESO=C1c2nc3cc(-c4ccncc4)[nH]n3c(=O)c2CN1Cc1ccc(F)cc1
InChIInChI=1S/C20H14FN5O2/c21-14-3-1-12(2-4-14)10-25-11-15-18(20(25)28)23-17-9-16(24-26(17)19(15)27)13-5-7-22-8-6-13/h1-9,24H,10-11H2
InChIKeyHZMONITUBCIRRI-UHFFFAOYSA-N
MW375.36 g/mol
LogP2.38
Rot. Bonds3

About 5-[(4-fluorophenyl)methyl]-11-pyridin-4-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione

5-[(4-fluorophenyl)methyl]-11-pyridin-4-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione (PubChem CID 142565222) has the molecular formula C20H14FN5O2 and a molecular weight of 375.36 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-11-pyridin-4-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-11-pyridin-4-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione
PubChem CID142565222
Molecular FormulaC20H14FN5O2
Molecular Weight375.36 g/mol
Exact Mass375.11
IUPAC Name5-[(4-fluorophenyl)methyl]-11-pyridin-4-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione
SMILESO=C1c2nc3cc(-c4ccncc4)[nH]n3c(=O)c2CN1Cc1ccc(F)cc1
InChIInChI=1S/C20H14FN5O2/c21-14-3-1-12(2-4-14)10-25-11-15-18(20(25)28)23-17-9-16(24-26(17)19(15)27)13-5-7-22-8-6-13/h1-9,24H,10-11H2
InChIKeyHZMONITUBCIRRI-UHFFFAOYSA-N
XLogP2.38
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-11-pyridin-4-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-11-pyridin-4-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione (CID 142565222) is 5-[(4-fluorophenyl)methyl]-11-pyridin-4-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-11-pyridin-4-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-11-pyridin-4-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione is O=C1c2nc3cc(-c4ccncc4)[nH]n3c(=O)c2CN1Cc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-11-pyridin-4-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione?
The InChIKey is HZMONITUBCIRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O2/c21-14-3-1-12(2-4-14)10-25-11-15-18(20(25)28)23-17-9-16(24-26(17)19(15)27)13-5-7-22-8-6-13/h1-9,24H,10-11H2.
What are the key properties of 5-[(4-fluorophenyl)methyl]-11-pyridin-4-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione?
5-[(4-fluorophenyl)methyl]-11-pyridin-4-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione has a molecular weight of 375.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-11-pyridin-4-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione is sourced from PubChem (CID 142565222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).