2-(2,4-dimethoxyphenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide

C25H23FN4O3 — CID 18674090

IUPAC2-(2,4-dimethoxyphenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2C)c(OC)c1
InChIInChI=1S/C25H23FN4O3/c1-30-25(28-22(31)14-18-6-9-20(32-2)15-21(18)33-3)23(16-10-12-27-13-11-16)24(29-30)17-4-7-19(26)8-5-17/h4-13,15H,14H2,1-3H3,(H,28,31)
InChIKeyOWAYJVCIVYTGRB-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.49
Rot. Bonds7

About 2-(2,4-dimethoxyphenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide

2-(2,4-dimethoxyphenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide (PubChem CID 18674090) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
PubChem CID18674090
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2C)c(OC)c1
InChIInChI=1S/C25H23FN4O3/c1-30-25(28-22(31)14-18-6-9-20(32-2)15-21(18)33-3)23(16-10-12-27-13-11-16)24(29-30)17-4-7-19(26)8-5-17/h4-13,15H,14H2,1-3H3,(H,28,31)
InChIKeyOWAYJVCIVYTGRB-UHFFFAOYSA-N
XLogP4.49
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide (CID 18674090) is 2-(2,4-dimethoxyphenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide is COc1ccc(CC(=O)Nc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2C)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The InChIKey is OWAYJVCIVYTGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3/c1-30-25(28-22(31)14-18-6-9-20(32-2)15-21(18)33-3)23(16-10-12-27-13-11-16)24(29-30)17-4-7-19(26)8-5-17/h4-13,15H,14H2,1-3H3,(H,28,31).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
2-(2,4-dimethoxyphenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide has a molecular weight of 446.48 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide is sourced from PubChem (CID 18674090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).