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

C26H21F3N6O2 — CID 86293573

IUPACN-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide
SMILESO=C(Nc1cccc(-c2cnco2)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC1CC2
InChIInChI=1S/C26H21F3N6O2/c27-26(28,29)17-4-1-3-16(13-17)19-7-8-21-24(32-19)35(18-9-11-34(21)12-10-18)25(36)33-23-6-2-5-20(31-23)22-14-30-15-37-22/h1-8,13-15,18H,9-12H2,(H,31,33,36)
InChIKeyUEVOSFHUDBZUTL-UHFFFAOYSA-N
MW506.49 g/mol
LogP5.84
Rot. Bonds3

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

N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide (PubChem CID 86293573) has the molecular formula C26H21F3N6O2 and a molecular weight of 506.49 g/mol. Its IUPAC name is N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide.

Molecular Properties

Compound NameN-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide
PubChem CID86293573
Molecular FormulaC26H21F3N6O2
Molecular Weight506.49 g/mol
Exact Mass506.17
IUPAC NameN-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide
SMILESO=C(Nc1cccc(-c2cnco2)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC1CC2
InChIInChI=1S/C26H21F3N6O2/c27-26(28,29)17-4-1-3-16(13-17)19-7-8-21-24(32-19)35(18-9-11-34(21)12-10-18)25(36)33-23-6-2-5-20(31-23)22-14-30-15-37-22/h1-8,13-15,18H,9-12H2,(H,31,33,36)
InChIKeyUEVOSFHUDBZUTL-UHFFFAOYSA-N
XLogP5.84
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.49
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide?
The IUPAC name of N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide (CID 86293573) is N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide.
What is the SMILES notation for N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide?
The canonical SMILES for N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide is O=C(Nc1cccc(-c2cnco2)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC1CC2.
What is the InChIKey of N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide?
The InChIKey is UEVOSFHUDBZUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N6O2/c27-26(28,29)17-4-1-3-16(13-17)19-7-8-21-24(32-19)35(18-9-11-34(21)12-10-18)25(36)33-23-6-2-5-20(31-23)22-14-30-15-37-22/h1-8,13-15,18H,9-12H2,(H,31,33,36).
What are the key properties of N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide?
N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide has a molecular weight of 506.49 g/mol, XLogP of 5.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide is sourced from PubChem (CID 86293573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).