2-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide

C23H17ClF2N4O — CID 57467727

IUPAC2-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C23H17ClF2N4O/c1-30-23(28-20(31)13-17-18(24)3-2-4-19(17)26)21(14-9-11-27-12-10-14)22(29-30)15-5-7-16(25)8-6-15/h2-12H,13H2,1H3,(H,28,31)
InChIKeyXSQAHJCFAOCFMZ-UHFFFAOYSA-N
MW438.87 g/mol
LogP5.26
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide (PubChem CID 57467727) has the molecular formula C23H17ClF2N4O and a molecular weight of 438.87 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
PubChem CID57467727
Molecular FormulaC23H17ClF2N4O
Molecular Weight438.87 g/mol
Exact Mass438.11
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C23H17ClF2N4O/c1-30-23(28-20(31)13-17-18(24)3-2-4-19(17)26)21(14-9-11-27-12-10-14)22(29-30)15-5-7-16(25)8-6-15/h2-12H,13H2,1H3,(H,28,31)
InChIKeyXSQAHJCFAOCFMZ-UHFFFAOYSA-N
XLogP5.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.87
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide (CID 57467727) is 2-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide is Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The InChIKey is XSQAHJCFAOCFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF2N4O/c1-30-23(28-20(31)13-17-18(24)3-2-4-19(17)26)21(14-9-11-27-12-10-14)22(29-30)15-5-7-16(25)8-6-15/h2-12H,13H2,1H3,(H,28,31).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide has a molecular weight of 438.87 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide is sourced from PubChem (CID 57467727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).