4-(difluoromethoxy)-N-[3-[4-(difluoromethoxy)phenyl]-1-(6-methoxy-2-pyridinyl)-2-methyl-5-oxopyrazol-4-yl]benzamide

C25H20F4N4O5 — CID 162436856

IUPAC4-(difluoromethoxy)-N-[3-[4-(difluoromethoxy)phenyl]-1-(6-methoxy-2-pyridinyl)-2-methyl-5-oxopyrazol-4-yl]benzamide
SMILESCOc1cccc(-n2c(=O)c(NC(=O)c3ccc(OC(F)F)cc3)c(-c3ccc(OC(F)F)cc3)n2C)n1
InChIInChI=1S/C25H20F4N4O5/c1-32-21(14-6-10-16(11-7-14)37-24(26)27)20(23(35)33(32)18-4-3-5-19(30-18)36-2)31-22(34)15-8-12-17(13-9-15)38-25(28)29/h3-13,24-25H,1-2H3,(H,31,34)
InChIKeySDIDCJGDRYKWHQ-UHFFFAOYSA-N
MW532.45 g/mol
LogP4.70
Rot. Bonds9

About 4-(difluoromethoxy)-N-[3-[4-(difluoromethoxy)phenyl]-1-(6-methoxy-2-pyridinyl)-2-methyl-5-oxopyrazol-4-yl]benzamide

4-(difluoromethoxy)-N-[3-[4-(difluoromethoxy)phenyl]-1-(6-methoxy-2-pyridinyl)-2-methyl-5-oxopyrazol-4-yl]benzamide (PubChem CID 162436856) has the molecular formula C25H20F4N4O5 and a molecular weight of 532.45 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[3-[4-(difluoromethoxy)phenyl]-1-(6-methoxy-2-pyridinyl)-2-methyl-5-oxopyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[3-[4-(difluoromethoxy)phenyl]-1-(6-methoxy-2-pyridinyl)-2-methyl-5-oxopyrazol-4-yl]benzamide
PubChem CID162436856
Molecular FormulaC25H20F4N4O5
Molecular Weight532.45 g/mol
Exact Mass532.14
IUPAC Name4-(difluoromethoxy)-N-[3-[4-(difluoromethoxy)phenyl]-1-(6-methoxy-2-pyridinyl)-2-methyl-5-oxopyrazol-4-yl]benzamide
SMILESCOc1cccc(-n2c(=O)c(NC(=O)c3ccc(OC(F)F)cc3)c(-c3ccc(OC(F)F)cc3)n2C)n1
InChIInChI=1S/C25H20F4N4O5/c1-32-21(14-6-10-16(11-7-14)37-24(26)27)20(23(35)33(32)18-4-3-5-19(30-18)36-2)31-22(34)15-8-12-17(13-9-15)38-25(28)29/h3-13,24-25H,1-2H3,(H,31,34)
InChIKeySDIDCJGDRYKWHQ-UHFFFAOYSA-N
XLogP4.70
TPSA96.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[3-[4-(difluoromethoxy)phenyl]-1-(6-methoxy-2-pyridinyl)-2-methyl-5-oxopyrazol-4-yl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[3-[4-(difluoromethoxy)phenyl]-1-(6-methoxy-2-pyridinyl)-2-methyl-5-oxopyrazol-4-yl]benzamide (CID 162436856) is 4-(difluoromethoxy)-N-[3-[4-(difluoromethoxy)phenyl]-1-(6-methoxy-2-pyridinyl)-2-methyl-5-oxopyrazol-4-yl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[3-[4-(difluoromethoxy)phenyl]-1-(6-methoxy-2-pyridinyl)-2-methyl-5-oxopyrazol-4-yl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[3-[4-(difluoromethoxy)phenyl]-1-(6-methoxy-2-pyridinyl)-2-methyl-5-oxopyrazol-4-yl]benzamide is COc1cccc(-n2c(=O)c(NC(=O)c3ccc(OC(F)F)cc3)c(-c3ccc(OC(F)F)cc3)n2C)n1.
What is the InChIKey of 4-(difluoromethoxy)-N-[3-[4-(difluoromethoxy)phenyl]-1-(6-methoxy-2-pyridinyl)-2-methyl-5-oxopyrazol-4-yl]benzamide?
The InChIKey is SDIDCJGDRYKWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N4O5/c1-32-21(14-6-10-16(11-7-14)37-24(26)27)20(23(35)33(32)18-4-3-5-19(30-18)36-2)31-22(34)15-8-12-17(13-9-15)38-25(28)29/h3-13,24-25H,1-2H3,(H,31,34).
What are the key properties of 4-(difluoromethoxy)-N-[3-[4-(difluoromethoxy)phenyl]-1-(6-methoxy-2-pyridinyl)-2-methyl-5-oxopyrazol-4-yl]benzamide?
4-(difluoromethoxy)-N-[3-[4-(difluoromethoxy)phenyl]-1-(6-methoxy-2-pyridinyl)-2-methyl-5-oxopyrazol-4-yl]benzamide has a molecular weight of 532.45 g/mol, XLogP of 4.70, 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-[4-(difluoromethoxy)phenyl]-1-(6-methoxy-2-pyridinyl)-2-methyl-5-oxopyrazol-4-yl]benzamide is sourced from PubChem (CID 162436856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).