6-(2-fluoro-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine

C26H20FN5 — CID 71618523

IUPAC6-(2-fluoro-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine
SMILESCc1cc(-c2ccc(CNc3nccc4cc(-c5ccnc(F)c5)ncc34)cc2)ccn1
InChIInChI=1S/C26H20FN5/c1-17-12-20(6-9-28-17)19-4-2-18(3-5-19)15-32-26-23-16-31-24(13-21(23)7-11-30-26)22-8-10-29-25(27)14-22/h2-14,16H,15H2,1H3,(H,30,32)
InChIKeyRZFUBXGRSCAWAE-UHFFFAOYSA-N
MW421.48 g/mol
LogP5.81
Rot. Bonds5

About 6-(2-fluoro-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine

6-(2-fluoro-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine (PubChem CID 71618523) has the molecular formula C26H20FN5 and a molecular weight of 421.48 g/mol. Its IUPAC name is 6-(2-fluoro-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name6-(2-fluoro-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine
PubChem CID71618523
Molecular FormulaC26H20FN5
Molecular Weight421.48 g/mol
Exact Mass421.17
IUPAC Name6-(2-fluoro-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine
SMILESCc1cc(-c2ccc(CNc3nccc4cc(-c5ccnc(F)c5)ncc34)cc2)ccn1
InChIInChI=1S/C26H20FN5/c1-17-12-20(6-9-28-17)19-4-2-18(3-5-19)15-32-26-23-16-31-24(13-21(23)7-11-30-26)22-8-10-29-25(27)14-22/h2-14,16H,15H2,1H3,(H,30,32)
InChIKeyRZFUBXGRSCAWAE-UHFFFAOYSA-N
XLogP5.81
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.48
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine?
The IUPAC name of 6-(2-fluoro-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine (CID 71618523) is 6-(2-fluoro-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine.
What is the SMILES notation for 6-(2-fluoro-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine?
The canonical SMILES for 6-(2-fluoro-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine is Cc1cc(-c2ccc(CNc3nccc4cc(-c5ccnc(F)c5)ncc34)cc2)ccn1.
What is the InChIKey of 6-(2-fluoro-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine?
The InChIKey is RZFUBXGRSCAWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5/c1-17-12-20(6-9-28-17)19-4-2-18(3-5-19)15-32-26-23-16-31-24(13-21(23)7-11-30-26)22-8-10-29-25(27)14-22/h2-14,16H,15H2,1H3,(H,30,32).
What are the key properties of 6-(2-fluoro-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine?
6-(2-fluoro-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine has a molecular weight of 421.48 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine is sourced from PubChem (CID 71618523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).