4-[5-[(E)-but-2-en-2-yl]-3-pyridinyl]-2-(2-fluorophenyl)-1,8-naphthyridine

C23H18FN3 — CID 134188632

IUPAC4-[5-[(E)-but-2-en-2-yl]-3-pyridinyl]-2-(2-fluorophenyl)-1,8-naphthyridine
SMILESC/C=C(\C)c1cncc(-c2cc(-c3ccccc3F)nc3ncccc23)c1
InChIInChI=1S/C23H18FN3/c1-3-15(2)16-11-17(14-25-13-16)20-12-22(19-7-4-5-9-21(19)24)27-23-18(20)8-6-10-26-23/h3-14H,1-2H3/b15-3+
InChIKeyDWISQSXLBABSKA-CRKCGEKBSA-N
MW355.42 g/mol
LogP5.92
Rot. Bonds3

About 4-[5-[(E)-but-2-en-2-yl]-3-pyridinyl]-2-(2-fluorophenyl)-1,8-naphthyridine

4-[5-[(E)-but-2-en-2-yl]-3-pyridinyl]-2-(2-fluorophenyl)-1,8-naphthyridine (PubChem CID 134188632) has the molecular formula C23H18FN3 and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-[5-[(E)-but-2-en-2-yl]-3-pyridinyl]-2-(2-fluorophenyl)-1,8-naphthyridine.

Molecular Properties

Compound Name4-[5-[(E)-but-2-en-2-yl]-3-pyridinyl]-2-(2-fluorophenyl)-1,8-naphthyridine
PubChem CID134188632
Molecular FormulaC23H18FN3
Molecular Weight355.42 g/mol
Exact Mass355.15
IUPAC Name4-[5-[(E)-but-2-en-2-yl]-3-pyridinyl]-2-(2-fluorophenyl)-1,8-naphthyridine
SMILESC/C=C(\C)c1cncc(-c2cc(-c3ccccc3F)nc3ncccc23)c1
InChIInChI=1S/C23H18FN3/c1-3-15(2)16-11-17(14-25-13-16)20-12-22(19-7-4-5-9-21(19)24)27-23-18(20)8-6-10-26-23/h3-14H,1-2H3/b15-3+
InChIKeyDWISQSXLBABSKA-CRKCGEKBSA-N
XLogP5.92
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.42
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(E)-but-2-en-2-yl]-3-pyridinyl]-2-(2-fluorophenyl)-1,8-naphthyridine?
The IUPAC name of 4-[5-[(E)-but-2-en-2-yl]-3-pyridinyl]-2-(2-fluorophenyl)-1,8-naphthyridine (CID 134188632) is 4-[5-[(E)-but-2-en-2-yl]-3-pyridinyl]-2-(2-fluorophenyl)-1,8-naphthyridine.
What is the SMILES notation for 4-[5-[(E)-but-2-en-2-yl]-3-pyridinyl]-2-(2-fluorophenyl)-1,8-naphthyridine?
The canonical SMILES for 4-[5-[(E)-but-2-en-2-yl]-3-pyridinyl]-2-(2-fluorophenyl)-1,8-naphthyridine is C/C=C(\C)c1cncc(-c2cc(-c3ccccc3F)nc3ncccc23)c1.
What is the InChIKey of 4-[5-[(E)-but-2-en-2-yl]-3-pyridinyl]-2-(2-fluorophenyl)-1,8-naphthyridine?
The InChIKey is DWISQSXLBABSKA-CRKCGEKBSA-N. The full InChI is InChI=1S/C23H18FN3/c1-3-15(2)16-11-17(14-25-13-16)20-12-22(19-7-4-5-9-21(19)24)27-23-18(20)8-6-10-26-23/h3-14H,1-2H3/b15-3+.
What are the key properties of 4-[5-[(E)-but-2-en-2-yl]-3-pyridinyl]-2-(2-fluorophenyl)-1,8-naphthyridine?
4-[5-[(E)-but-2-en-2-yl]-3-pyridinyl]-2-(2-fluorophenyl)-1,8-naphthyridine has a molecular weight of 355.42 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(E)-but-2-en-2-yl]-3-pyridinyl]-2-(2-fluorophenyl)-1,8-naphthyridine is sourced from PubChem (CID 134188632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).