1-(5-fluoro-2-hydroxyphenyl)-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]prop-2-en-1-one

C22H16FN3O2 — CID 67946247

IUPAC1-(5-fluoro-2-hydroxyphenyl)-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]prop-2-en-1-one
SMILESCc1nc2cnccc2n1-c1ccc(C=CC(=O)c2cc(F)ccc2O)cc1
InChIInChI=1S/C22H16FN3O2/c1-14-25-19-13-24-11-10-20(19)26(14)17-6-2-15(3-7-17)4-8-21(27)18-12-16(23)5-9-22(18)28/h2-13,28H,1H3
InChIKeyISJCDXNAIPNPSH-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.47
Rot. Bonds4

About 1-(5-fluoro-2-hydroxyphenyl)-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]prop-2-en-1-one

1-(5-fluoro-2-hydroxyphenyl)-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]prop-2-en-1-one (PubChem CID 67946247) has the molecular formula C22H16FN3O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydroxyphenyl)-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-(5-fluoro-2-hydroxyphenyl)-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]prop-2-en-1-one
PubChem CID67946247
Molecular FormulaC22H16FN3O2
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC Name1-(5-fluoro-2-hydroxyphenyl)-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]prop-2-en-1-one
SMILESCc1nc2cnccc2n1-c1ccc(C=CC(=O)c2cc(F)ccc2O)cc1
InChIInChI=1S/C22H16FN3O2/c1-14-25-19-13-24-11-10-20(19)26(14)17-6-2-15(3-7-17)4-8-21(27)18-12-16(23)5-9-22(18)28/h2-13,28H,1H3
InChIKeyISJCDXNAIPNPSH-UHFFFAOYSA-N
XLogP4.47
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]prop-2-en-1-one?
The IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]prop-2-en-1-one (CID 67946247) is 1-(5-fluoro-2-hydroxyphenyl)-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]prop-2-en-1-one.
What is the SMILES notation for 1-(5-fluoro-2-hydroxyphenyl)-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]prop-2-en-1-one?
The canonical SMILES for 1-(5-fluoro-2-hydroxyphenyl)-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]prop-2-en-1-one is Cc1nc2cnccc2n1-c1ccc(C=CC(=O)c2cc(F)ccc2O)cc1.
What is the InChIKey of 1-(5-fluoro-2-hydroxyphenyl)-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]prop-2-en-1-one?
The InChIKey is ISJCDXNAIPNPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2/c1-14-25-19-13-24-11-10-20(19)26(14)17-6-2-15(3-7-17)4-8-21(27)18-12-16(23)5-9-22(18)28/h2-13,28H,1H3.
What are the key properties of 1-(5-fluoro-2-hydroxyphenyl)-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]prop-2-en-1-one?
1-(5-fluoro-2-hydroxyphenyl)-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]prop-2-en-1-one has a molecular weight of 373.39 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydroxyphenyl)-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]prop-2-en-1-one is sourced from PubChem (CID 67946247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).