2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-3-ylbenzamide

C25H23FN4O3 — CID 67107897

IUPAC2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-3-ylbenzamide
SMILESCOCCn1cc(-c2ccc(OCc3ccc(F)cc3)c(C(=O)Nc3cccnc3)c2)cn1
InChIInChI=1S/C25H23FN4O3/c1-32-12-11-30-16-20(14-28-30)19-6-9-24(33-17-18-4-7-21(26)8-5-18)23(13-19)25(31)29-22-3-2-10-27-15-22/h2-10,13-16H,11-12,17H2,1H3,(H,29,31)
InChIKeyXEJPOHMUXNRCJF-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.56
Rot. Bonds9

About 2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-3-ylbenzamide

2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-3-ylbenzamide (PubChem CID 67107897) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-3-ylbenzamide
PubChem CID67107897
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC Name2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-3-ylbenzamide
SMILESCOCCn1cc(-c2ccc(OCc3ccc(F)cc3)c(C(=O)Nc3cccnc3)c2)cn1
InChIInChI=1S/C25H23FN4O3/c1-32-12-11-30-16-20(14-28-30)19-6-9-24(33-17-18-4-7-21(26)8-5-18)23(13-19)25(31)29-22-3-2-10-27-15-22/h2-10,13-16H,11-12,17H2,1H3,(H,29,31)
InChIKeyXEJPOHMUXNRCJF-UHFFFAOYSA-N
XLogP4.56
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-3-ylbenzamide (CID 67107897) is 2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-3-ylbenzamide is COCCn1cc(-c2ccc(OCc3ccc(F)cc3)c(C(=O)Nc3cccnc3)c2)cn1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-3-ylbenzamide?
The InChIKey is XEJPOHMUXNRCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3/c1-32-12-11-30-16-20(14-28-30)19-6-9-24(33-17-18-4-7-21(26)8-5-18)23(13-19)25(31)29-22-3-2-10-27-15-22/h2-10,13-16H,11-12,17H2,1H3,(H,29,31).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-3-ylbenzamide?
2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-3-ylbenzamide has a molecular weight of 446.48 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 67107897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).