4-(difluoromethoxy)-N-[3-(2,6-difluoro-4-methoxyphenyl)-1-[6-(difluoromethoxy)-2-pyridinyl]-2-methyl-5-oxopyrazol-4-yl]benzamide

C25H18F6N4O5 — CID 162436876

IUPAC4-(difluoromethoxy)-N-[3-(2,6-difluoro-4-methoxyphenyl)-1-[6-(difluoromethoxy)-2-pyridinyl]-2-methyl-5-oxopyrazol-4-yl]benzamide
SMILESCOc1cc(F)c(-c2c(NC(=O)c3ccc(OC(F)F)cc3)c(=O)n(-c3cccc(OC(F)F)n3)n2C)c(F)c1
InChIInChI=1S/C25H18F6N4O5/c1-34-21(19-15(26)10-14(38-2)11-16(19)27)20(33-22(36)12-6-8-13(9-7-12)39-24(28)29)23(37)35(34)17-4-3-5-18(32-17)40-25(30)31/h3-11,24-25H,1-2H3,(H,33,36)
InChIKeyGFTRFHJCCGRJJS-UHFFFAOYSA-N
MW568.43 g/mol
LogP4.98
Rot. Bonds9

About 4-(difluoromethoxy)-N-[3-(2,6-difluoro-4-methoxyphenyl)-1-[6-(difluoromethoxy)-2-pyridinyl]-2-methyl-5-oxopyrazol-4-yl]benzamide

4-(difluoromethoxy)-N-[3-(2,6-difluoro-4-methoxyphenyl)-1-[6-(difluoromethoxy)-2-pyridinyl]-2-methyl-5-oxopyrazol-4-yl]benzamide (PubChem CID 162436876) has the molecular formula C25H18F6N4O5 and a molecular weight of 568.43 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[3-(2,6-difluoro-4-methoxyphenyl)-1-[6-(difluoromethoxy)-2-pyridinyl]-2-methyl-5-oxopyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[3-(2,6-difluoro-4-methoxyphenyl)-1-[6-(difluoromethoxy)-2-pyridinyl]-2-methyl-5-oxopyrazol-4-yl]benzamide
PubChem CID162436876
Molecular FormulaC25H18F6N4O5
Molecular Weight568.43 g/mol
Exact Mass568.12
IUPAC Name4-(difluoromethoxy)-N-[3-(2,6-difluoro-4-methoxyphenyl)-1-[6-(difluoromethoxy)-2-pyridinyl]-2-methyl-5-oxopyrazol-4-yl]benzamide
SMILESCOc1cc(F)c(-c2c(NC(=O)c3ccc(OC(F)F)cc3)c(=O)n(-c3cccc(OC(F)F)n3)n2C)c(F)c1
InChIInChI=1S/C25H18F6N4O5/c1-34-21(19-15(26)10-14(38-2)11-16(19)27)20(33-22(36)12-6-8-13(9-7-12)39-24(28)29)23(37)35(34)17-4-3-5-18(32-17)40-25(30)31/h3-11,24-25H,1-2H3,(H,33,36)
InChIKeyGFTRFHJCCGRJJS-UHFFFAOYSA-N
XLogP4.98
TPSA96.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.43
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(difluoromethoxy)-N-[3-(2,6-difluoro-4-methoxyphenyl)-1-[6-(difluoromethoxy)-2-pyridinyl]-2-methyl-5-oxopyrazol-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[3-(2,6-difluoro-4-methoxyphenyl)-1-[6-(difluoromethoxy)-2-pyridinyl]-2-methyl-5-oxopyrazol-4-yl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[3-(2,6-difluoro-4-methoxyphenyl)-1-[6-(difluoromethoxy)-2-pyridinyl]-2-methyl-5-oxopyrazol-4-yl]benzamide (CID 162436876) is 4-(difluoromethoxy)-N-[3-(2,6-difluoro-4-methoxyphenyl)-1-[6-(difluoromethoxy)-2-pyridinyl]-2-methyl-5-oxopyrazol-4-yl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[3-(2,6-difluoro-4-methoxyphenyl)-1-[6-(difluoromethoxy)-2-pyridinyl]-2-methyl-5-oxopyrazol-4-yl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[3-(2,6-difluoro-4-methoxyphenyl)-1-[6-(difluoromethoxy)-2-pyridinyl]-2-methyl-5-oxopyrazol-4-yl]benzamide is COc1cc(F)c(-c2c(NC(=O)c3ccc(OC(F)F)cc3)c(=O)n(-c3cccc(OC(F)F)n3)n2C)c(F)c1.
What is the InChIKey of 4-(difluoromethoxy)-N-[3-(2,6-difluoro-4-methoxyphenyl)-1-[6-(difluoromethoxy)-2-pyridinyl]-2-methyl-5-oxopyrazol-4-yl]benzamide?
The InChIKey is GFTRFHJCCGRJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F6N4O5/c1-34-21(19-15(26)10-14(38-2)11-16(19)27)20(33-22(36)12-6-8-13(9-7-12)39-24(28)29)23(37)35(34)17-4-3-5-18(32-17)40-25(30)31/h3-11,24-25H,1-2H3,(H,33,36).
What are the key properties of 4-(difluoromethoxy)-N-[3-(2,6-difluoro-4-methoxyphenyl)-1-[6-(difluoromethoxy)-2-pyridinyl]-2-methyl-5-oxopyrazol-4-yl]benzamide?
4-(difluoromethoxy)-N-[3-(2,6-difluoro-4-methoxyphenyl)-1-[6-(difluoromethoxy)-2-pyridinyl]-2-methyl-5-oxopyrazol-4-yl]benzamide has a molecular weight of 568.43 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[3-(2,6-difluoro-4-methoxyphenyl)-1-[6-(difluoromethoxy)-2-pyridinyl]-2-methyl-5-oxopyrazol-4-yl]benzamide is sourced from PubChem (CID 162436876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).