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

C26H20FN5O — CID 53345935

IUPAC(E)-4-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]but-2-en-1-ol
SMILESOC/C=C/Cn1cc(-c2cncc(-c3cc(-c4ccccc4F)nc4ncccc34)c2)cn1
InChIInChI=1S/C26H20FN5O/c27-24-8-2-1-6-22(24)25-13-23(21-7-5-9-29-26(21)31-25)19-12-18(14-28-15-19)20-16-30-32(17-20)10-3-4-11-33/h1-9,12-17,33H,10-11H2/b4-3+
InChIKeyRPLJSSDJIXBJBD-ONEGZZNKSA-N
MW437.48 g/mol
LogP4.91
Rot. Bonds6

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

(E)-4-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]but-2-en-1-ol (PubChem CID 53345935) has the molecular formula C26H20FN5O and a molecular weight of 437.48 g/mol. Its IUPAC name is (E)-4-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]but-2-en-1-ol
PubChem CID53345935
Molecular FormulaC26H20FN5O
Molecular Weight437.48 g/mol
Exact Mass437.17
IUPAC Name(E)-4-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]but-2-en-1-ol
SMILESOC/C=C/Cn1cc(-c2cncc(-c3cc(-c4ccccc4F)nc4ncccc34)c2)cn1
InChIInChI=1S/C26H20FN5O/c27-24-8-2-1-6-22(24)25-13-23(21-7-5-9-29-26(21)31-25)19-12-18(14-28-15-19)20-16-30-32(17-20)10-3-4-11-33/h1-9,12-17,33H,10-11H2/b4-3+
InChIKeyRPLJSSDJIXBJBD-ONEGZZNKSA-N
XLogP4.91
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]but-2-en-1-ol?
The IUPAC name of (E)-4-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]but-2-en-1-ol (CID 53345935) is (E)-4-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]but-2-en-1-ol.
What is the SMILES notation for (E)-4-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]but-2-en-1-ol?
The canonical SMILES for (E)-4-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]but-2-en-1-ol is OC/C=C/Cn1cc(-c2cncc(-c3cc(-c4ccccc4F)nc4ncccc34)c2)cn1.
What is the InChIKey of (E)-4-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]but-2-en-1-ol?
The InChIKey is RPLJSSDJIXBJBD-ONEGZZNKSA-N. The full InChI is InChI=1S/C26H20FN5O/c27-24-8-2-1-6-22(24)25-13-23(21-7-5-9-29-26(21)31-25)19-12-18(14-28-15-19)20-16-30-32(17-20)10-3-4-11-33/h1-9,12-17,33H,10-11H2/b4-3+.
What are the key properties of (E)-4-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]but-2-en-1-ol?
(E)-4-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]but-2-en-1-ol has a molecular weight of 437.48 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]but-2-en-1-ol is sourced from PubChem (CID 53345935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).