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

C26H19F7N4O4 — CID 162436868

IUPAC4-(difluoromethoxy)-N-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-2-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-3-oxopyrazol-4-yl]benzamide
SMILESCOc1cc(F)c(-c2c(NC(=O)c3ccc(OC(F)F)cc3)c(=O)n(-c3nc(C)ccc3C(F)(F)F)n2C)c(F)c1
InChIInChI=1S/C26H19F7N4O4/c1-12-4-9-16(26(31,32)33)22(34-12)37-24(39)20(35-23(38)13-5-7-14(8-6-13)41-25(29)30)21(36(37)2)19-17(27)10-15(40-3)11-18(19)28/h4-11,25H,1-3H3,(H,35,38)
InChIKeyGJEVLWBGWCDPEU-UHFFFAOYSA-N
MW584.45 g/mol
LogP5.71
Rot. Bonds7

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

4-(difluoromethoxy)-N-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-2-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-3-oxopyrazol-4-yl]benzamide (PubChem CID 162436868) has the molecular formula C26H19F7N4O4 and a molecular weight of 584.45 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-2-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-3-oxopyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-2-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-3-oxopyrazol-4-yl]benzamide
PubChem CID162436868
Molecular FormulaC26H19F7N4O4
Molecular Weight584.45 g/mol
Exact Mass584.13
IUPAC Name4-(difluoromethoxy)-N-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-2-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-3-oxopyrazol-4-yl]benzamide
SMILESCOc1cc(F)c(-c2c(NC(=O)c3ccc(OC(F)F)cc3)c(=O)n(-c3nc(C)ccc3C(F)(F)F)n2C)c(F)c1
InChIInChI=1S/C26H19F7N4O4/c1-12-4-9-16(26(31,32)33)22(34-12)37-24(39)20(35-23(38)13-5-7-14(8-6-13)41-25(29)30)21(36(37)2)19-17(27)10-15(40-3)11-18(19)28/h4-11,25H,1-3H3,(H,35,38)
InChIKeyGJEVLWBGWCDPEU-UHFFFAOYSA-N
XLogP5.71
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.45
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-2-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-3-oxopyrazol-4-yl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-2-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-3-oxopyrazol-4-yl]benzamide (CID 162436868) is 4-(difluoromethoxy)-N-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-2-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-3-oxopyrazol-4-yl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-2-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-3-oxopyrazol-4-yl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-2-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-3-oxopyrazol-4-yl]benzamide is COc1cc(F)c(-c2c(NC(=O)c3ccc(OC(F)F)cc3)c(=O)n(-c3nc(C)ccc3C(F)(F)F)n2C)c(F)c1.
What is the InChIKey of 4-(difluoromethoxy)-N-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-2-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-3-oxopyrazol-4-yl]benzamide?
The InChIKey is GJEVLWBGWCDPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F7N4O4/c1-12-4-9-16(26(31,32)33)22(34-12)37-24(39)20(35-23(38)13-5-7-14(8-6-13)41-25(29)30)21(36(37)2)19-17(27)10-15(40-3)11-18(19)28/h4-11,25H,1-3H3,(H,35,38).
What are the key properties of 4-(difluoromethoxy)-N-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-2-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-3-oxopyrazol-4-yl]benzamide?
4-(difluoromethoxy)-N-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-2-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-3-oxopyrazol-4-yl]benzamide has a molecular weight of 584.45 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-2-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-3-oxopyrazol-4-yl]benzamide is sourced from PubChem (CID 162436868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).