N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide

C24H20F2N4O3 — CID 58486920

IUPACN-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide
SMILESCOc1ccc(OC)c(-c2cc(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)n(C)n2)c1
InChIInChI=1S/C24H20F2N4O3/c1-30-20(12-19(29-30)16-11-15(32-2)8-9-21(16)33-3)14-7-10-22(27-13-14)28-24(31)23-17(25)5-4-6-18(23)26/h4-13H,1-3H3,(H,27,28,31)
InChIKeyVHEKWSCAKQWFMK-UHFFFAOYSA-N
MW450.45 g/mol
LogP4.70
Rot. Bonds6

About N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide

N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide (PubChem CID 58486920) has the molecular formula C24H20F2N4O3 and a molecular weight of 450.45 g/mol. Its IUPAC name is N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide
PubChem CID58486920
Molecular FormulaC24H20F2N4O3
Molecular Weight450.45 g/mol
Exact Mass450.15
IUPAC NameN-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide
SMILESCOc1ccc(OC)c(-c2cc(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)n(C)n2)c1
InChIInChI=1S/C24H20F2N4O3/c1-30-20(12-19(29-30)16-11-15(32-2)8-9-21(16)33-3)14-7-10-22(27-13-14)28-24(31)23-17(25)5-4-6-18(23)26/h4-13H,1-3H3,(H,27,28,31)
InChIKeyVHEKWSCAKQWFMK-UHFFFAOYSA-N
XLogP4.70
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide (CID 58486920) is N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide is COc1ccc(OC)c(-c2cc(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)n(C)n2)c1.
What is the InChIKey of N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide?
The InChIKey is VHEKWSCAKQWFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O3/c1-30-20(12-19(29-30)16-11-15(32-2)8-9-21(16)33-3)14-7-10-22(27-13-14)28-24(31)23-17(25)5-4-6-18(23)26/h4-13H,1-3H3,(H,27,28,31).
What are the key properties of N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide?
N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide has a molecular weight of 450.45 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide is sourced from PubChem (CID 58486920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).