5-(5-fluoro-3-pyridinyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide

C25H21FN6O2 — CID 86293572

IUPAC5-(5-fluoro-3-pyridinyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide
SMILESO=C(Nc1cccc(-c2cnco2)c1)N1c2nc(-c3cncc(F)c3)ccc2N2CCC1CC2
InChIInChI=1S/C25H21FN6O2/c26-18-10-17(12-27-13-18)21-4-5-22-24(30-21)32(20-6-8-31(22)9-7-20)25(33)29-19-3-1-2-16(11-19)23-14-28-15-34-23/h1-5,10-15,20H,6-9H2,(H,29,33)
InChIKeyCVJUMCJNJOODLB-UHFFFAOYSA-N
MW456.48 g/mol
LogP4.96
Rot. Bonds3

About 5-(5-fluoro-3-pyridinyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide

5-(5-fluoro-3-pyridinyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide (PubChem CID 86293572) has the molecular formula C25H21FN6O2 and a molecular weight of 456.48 g/mol. Its IUPAC name is 5-(5-fluoro-3-pyridinyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide.

Molecular Properties

Compound Name5-(5-fluoro-3-pyridinyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide
PubChem CID86293572
Molecular FormulaC25H21FN6O2
Molecular Weight456.48 g/mol
Exact Mass456.17
IUPAC Name5-(5-fluoro-3-pyridinyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide
SMILESO=C(Nc1cccc(-c2cnco2)c1)N1c2nc(-c3cncc(F)c3)ccc2N2CCC1CC2
InChIInChI=1S/C25H21FN6O2/c26-18-10-17(12-27-13-18)21-4-5-22-24(30-21)32(20-6-8-31(22)9-7-20)25(33)29-19-3-1-2-16(11-19)23-14-28-15-34-23/h1-5,10-15,20H,6-9H2,(H,29,33)
InChIKeyCVJUMCJNJOODLB-UHFFFAOYSA-N
XLogP4.96
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.48
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(5-fluoro-3-pyridinyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3-pyridinyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide?
The IUPAC name of 5-(5-fluoro-3-pyridinyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide (CID 86293572) is 5-(5-fluoro-3-pyridinyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide.
What is the SMILES notation for 5-(5-fluoro-3-pyridinyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide?
The canonical SMILES for 5-(5-fluoro-3-pyridinyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide is O=C(Nc1cccc(-c2cnco2)c1)N1c2nc(-c3cncc(F)c3)ccc2N2CCC1CC2.
What is the InChIKey of 5-(5-fluoro-3-pyridinyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide?
The InChIKey is CVJUMCJNJOODLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O2/c26-18-10-17(12-27-13-18)21-4-5-22-24(30-21)32(20-6-8-31(22)9-7-20)25(33)29-19-3-1-2-16(11-19)23-14-28-15-34-23/h1-5,10-15,20H,6-9H2,(H,29,33).
What are the key properties of 5-(5-fluoro-3-pyridinyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide?
5-(5-fluoro-3-pyridinyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide has a molecular weight of 456.48 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3-pyridinyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide is sourced from PubChem (CID 86293572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).