4-ethyl-5-(4-fluorophenyl)-11-pyridin-2-yl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

C22H16FN5O — CID 30469319

IUPAC4-ethyl-5-(4-fluorophenyl)-11-pyridin-2-yl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCCc1nn2c(ncc3c(=O)n(-c4ccccn4)ccc32)c1-c1ccc(F)cc1
InChIInChI=1S/C22H16FN5O/c1-2-17-20(14-6-8-15(23)9-7-14)21-25-13-16-18(28(21)26-17)10-12-27(22(16)29)19-5-3-4-11-24-19/h3-13H,2H2,1H3
InChIKeyUSWULIUDRSVXGR-UHFFFAOYSA-N
MW385.40 g/mol
LogP3.80
Rot. Bonds3

About 4-ethyl-5-(4-fluorophenyl)-11-pyridin-2-yl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

4-ethyl-5-(4-fluorophenyl)-11-pyridin-2-yl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 30469319) has the molecular formula C22H16FN5O and a molecular weight of 385.40 g/mol. Its IUPAC name is 4-ethyl-5-(4-fluorophenyl)-11-pyridin-2-yl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.

Molecular Properties

Compound Name4-ethyl-5-(4-fluorophenyl)-11-pyridin-2-yl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID30469319
Molecular FormulaC22H16FN5O
Molecular Weight385.40 g/mol
Exact Mass385.13
IUPAC Name4-ethyl-5-(4-fluorophenyl)-11-pyridin-2-yl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCCc1nn2c(ncc3c(=O)n(-c4ccccn4)ccc32)c1-c1ccc(F)cc1
InChIInChI=1S/C22H16FN5O/c1-2-17-20(14-6-8-15(23)9-7-14)21-25-13-16-18(28(21)26-17)10-12-27(22(16)29)19-5-3-4-11-24-19/h3-13H,2H2,1H3
InChIKeyUSWULIUDRSVXGR-UHFFFAOYSA-N
XLogP3.80
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-5-(4-fluorophenyl)-11-pyridin-2-yl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(4-fluorophenyl)-11-pyridin-2-yl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The IUPAC name of 4-ethyl-5-(4-fluorophenyl)-11-pyridin-2-yl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 30469319) is 4-ethyl-5-(4-fluorophenyl)-11-pyridin-2-yl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.
What is the SMILES notation for 4-ethyl-5-(4-fluorophenyl)-11-pyridin-2-yl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The canonical SMILES for 4-ethyl-5-(4-fluorophenyl)-11-pyridin-2-yl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is CCc1nn2c(ncc3c(=O)n(-c4ccccn4)ccc32)c1-c1ccc(F)cc1.
What is the InChIKey of 4-ethyl-5-(4-fluorophenyl)-11-pyridin-2-yl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The InChIKey is USWULIUDRSVXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O/c1-2-17-20(14-6-8-15(23)9-7-14)21-25-13-16-18(28(21)26-17)10-12-27(22(16)29)19-5-3-4-11-24-19/h3-13H,2H2,1H3.
What are the key properties of 4-ethyl-5-(4-fluorophenyl)-11-pyridin-2-yl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
4-ethyl-5-(4-fluorophenyl)-11-pyridin-2-yl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one has a molecular weight of 385.40 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(4-fluorophenyl)-11-pyridin-2-yl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is sourced from PubChem (CID 30469319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).