6-(3-fluorophenyl)-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine

C26H18F2N4 — CID 118634314

IUPAC6-(3-fluorophenyl)-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine
SMILESFc1cccc(-c2ccc(CNc3nccc4cc(-c5cccc(F)c5)ncc34)cn2)c1
InChIInChI=1S/C26H18F2N4/c27-21-5-1-3-19(11-21)24-8-7-17(14-30-24)15-32-26-23-16-31-25(13-18(23)9-10-29-26)20-4-2-6-22(28)12-20/h1-14,16H,15H2,(H,29,32)
InChIKeyNJVVBWVQDGLVLO-UHFFFAOYSA-N
MW424.45 g/mol
LogP6.25
Rot. Bonds5

About 6-(3-fluorophenyl)-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine

6-(3-fluorophenyl)-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine (PubChem CID 118634314) has the molecular formula C26H18F2N4 and a molecular weight of 424.45 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine
PubChem CID118634314
Molecular FormulaC26H18F2N4
Molecular Weight424.45 g/mol
Exact Mass424.15
IUPAC Name6-(3-fluorophenyl)-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine
SMILESFc1cccc(-c2ccc(CNc3nccc4cc(-c5cccc(F)c5)ncc34)cn2)c1
InChIInChI=1S/C26H18F2N4/c27-21-5-1-3-19(11-21)24-8-7-17(14-30-24)15-32-26-23-16-31-25(13-18(23)9-10-29-26)20-4-2-6-22(28)12-20/h1-14,16H,15H2,(H,29,32)
InChIKeyNJVVBWVQDGLVLO-UHFFFAOYSA-N
XLogP6.25
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.45
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine?
The IUPAC name of 6-(3-fluorophenyl)-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine (CID 118634314) is 6-(3-fluorophenyl)-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine?
The canonical SMILES for 6-(3-fluorophenyl)-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine is Fc1cccc(-c2ccc(CNc3nccc4cc(-c5cccc(F)c5)ncc34)cn2)c1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine?
The InChIKey is NJVVBWVQDGLVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F2N4/c27-21-5-1-3-19(11-21)24-8-7-17(14-30-24)15-32-26-23-16-31-25(13-18(23)9-10-29-26)20-4-2-6-22(28)12-20/h1-14,16H,15H2,(H,29,32).
What are the key properties of 6-(3-fluorophenyl)-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine?
6-(3-fluorophenyl)-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine has a molecular weight of 424.45 g/mol, XLogP of 6.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine is sourced from PubChem (CID 118634314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).