6-N-[7-(4-fluorophenyl)-1,6-naphthyridin-5-yl]-3-N-[7-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridin-5-yl]hexane-1,3,4,6-tetramine

C35H32F4N8O — CID 68626340

IUPAC6-N-[7-(4-fluorophenyl)-1,6-naphthyridin-5-yl]-3-N-[7-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridin-5-yl]hexane-1,3,4,6-tetramine
SMILESNCCC(Nc1nc(-c2cccc(OC(F)(F)F)c2)cc2ncccc12)C(N)CCNc1nc(-c2ccc(F)cc2)cc2ncccc12
InChIInChI=1S/C35H32F4N8O/c36-23-10-8-21(9-11-23)29-19-31-25(6-2-15-42-31)33(46-29)44-17-13-27(41)28(12-14-40)45-34-26-7-3-16-43-32(26)20-30(47-34)22-4-1-5-24(18-22)48-35(37,38)39/h1-11,15-16,18-20,27-28H,12-14,17,40-41H2,(H,44,46)(H,45,47)
InChIKeyOYIGZBOHEPRCQP-UHFFFAOYSA-N
MW656.69 g/mol
LogP6.90
Rot. Bonds12

About 6-N-[7-(4-fluorophenyl)-1,6-naphthyridin-5-yl]-3-N-[7-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridin-5-yl]hexane-1,3,4,6-tetramine

6-N-[7-(4-fluorophenyl)-1,6-naphthyridin-5-yl]-3-N-[7-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridin-5-yl]hexane-1,3,4,6-tetramine (PubChem CID 68626340) has the molecular formula C35H32F4N8O and a molecular weight of 656.69 g/mol. Its IUPAC name is 6-N-[7-(4-fluorophenyl)-1,6-naphthyridin-5-yl]-3-N-[7-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridin-5-yl]hexane-1,3,4,6-tetramine.

Molecular Properties

Compound Name6-N-[7-(4-fluorophenyl)-1,6-naphthyridin-5-yl]-3-N-[7-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridin-5-yl]hexane-1,3,4,6-tetramine
PubChem CID68626340
Molecular FormulaC35H32F4N8O
Molecular Weight656.69 g/mol
Exact Mass656.26
IUPAC Name6-N-[7-(4-fluorophenyl)-1,6-naphthyridin-5-yl]-3-N-[7-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridin-5-yl]hexane-1,3,4,6-tetramine
SMILESNCCC(Nc1nc(-c2cccc(OC(F)(F)F)c2)cc2ncccc12)C(N)CCNc1nc(-c2ccc(F)cc2)cc2ncccc12
InChIInChI=1S/C35H32F4N8O/c36-23-10-8-21(9-11-23)29-19-31-25(6-2-15-42-31)33(46-29)44-17-13-27(41)28(12-14-40)45-34-26-7-3-16-43-32(26)20-30(47-34)22-4-1-5-24(18-22)48-35(37,38)39/h1-11,15-16,18-20,27-28H,12-14,17,40-41H2,(H,44,46)(H,45,47)
InChIKeyOYIGZBOHEPRCQP-UHFFFAOYSA-N
XLogP6.90
TPSA136.89 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.69
LogP ≤ 56.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 6-N-[7-(4-fluorophenyl)-1,6-naphthyridin-5-yl]-3-N-[7-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridin-5-yl]hexane-1,3,4,6-tetramine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-[7-(4-fluorophenyl)-1,6-naphthyridin-5-yl]-3-N-[7-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridin-5-yl]hexane-1,3,4,6-tetramine?
The IUPAC name of 6-N-[7-(4-fluorophenyl)-1,6-naphthyridin-5-yl]-3-N-[7-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridin-5-yl]hexane-1,3,4,6-tetramine (CID 68626340) is 6-N-[7-(4-fluorophenyl)-1,6-naphthyridin-5-yl]-3-N-[7-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridin-5-yl]hexane-1,3,4,6-tetramine.
What is the SMILES notation for 6-N-[7-(4-fluorophenyl)-1,6-naphthyridin-5-yl]-3-N-[7-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridin-5-yl]hexane-1,3,4,6-tetramine?
The canonical SMILES for 6-N-[7-(4-fluorophenyl)-1,6-naphthyridin-5-yl]-3-N-[7-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridin-5-yl]hexane-1,3,4,6-tetramine is NCCC(Nc1nc(-c2cccc(OC(F)(F)F)c2)cc2ncccc12)C(N)CCNc1nc(-c2ccc(F)cc2)cc2ncccc12.
What is the InChIKey of 6-N-[7-(4-fluorophenyl)-1,6-naphthyridin-5-yl]-3-N-[7-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridin-5-yl]hexane-1,3,4,6-tetramine?
The InChIKey is OYIGZBOHEPRCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32F4N8O/c36-23-10-8-21(9-11-23)29-19-31-25(6-2-15-42-31)33(46-29)44-17-13-27(41)28(12-14-40)45-34-26-7-3-16-43-32(26)20-30(47-34)22-4-1-5-24(18-22)48-35(37,38)39/h1-11,15-16,18-20,27-28H,12-14,17,40-41H2,(H,44,46)(H,45,47).
What are the key properties of 6-N-[7-(4-fluorophenyl)-1,6-naphthyridin-5-yl]-3-N-[7-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridin-5-yl]hexane-1,3,4,6-tetramine?
6-N-[7-(4-fluorophenyl)-1,6-naphthyridin-5-yl]-3-N-[7-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridin-5-yl]hexane-1,3,4,6-tetramine has a molecular weight of 656.69 g/mol, XLogP of 6.90, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[7-(4-fluorophenyl)-1,6-naphthyridin-5-yl]-3-N-[7-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridin-5-yl]hexane-1,3,4,6-tetramine is sourced from PubChem (CID 68626340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).