N-(2,5-difluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide

C18H12F3N3O3 — CID 8557376

IUPACN-(2,5-difluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C18H12F3N3O3/c1-27-15-9-16(25)24(12-5-2-10(19)3-6-12)23-17(15)18(26)22-14-8-11(20)4-7-13(14)21/h2-9H,1H3,(H,22,26)
InChIKeyPPVGPLUVMRXIMM-UHFFFAOYSA-N
MW375.31 g/mol
LogP2.91
Rot. Bonds4

About N-(2,5-difluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide

N-(2,5-difluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide (PubChem CID 8557376) has the molecular formula C18H12F3N3O3 and a molecular weight of 375.31 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
PubChem CID8557376
Molecular FormulaC18H12F3N3O3
Molecular Weight375.31 g/mol
Exact Mass375.08
IUPAC NameN-(2,5-difluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C18H12F3N3O3/c1-27-15-9-16(25)24(12-5-2-10(19)3-6-12)23-17(15)18(26)22-14-8-11(20)4-7-13(14)21/h2-9H,1H3,(H,22,26)
InChIKeyPPVGPLUVMRXIMM-UHFFFAOYSA-N
XLogP2.91
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-difluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide 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 N-(2,5-difluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide (CID 8557376) is N-(2,5-difluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide is COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The InChIKey is PPVGPLUVMRXIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O3/c1-27-15-9-16(25)24(12-5-2-10(19)3-6-12)23-17(15)18(26)22-14-8-11(20)4-7-13(14)21/h2-9H,1H3,(H,22,26).
What are the key properties of N-(2,5-difluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
N-(2,5-difluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide has a molecular weight of 375.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 8557376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).