4-[1-(3,5-difluorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-sulfonamide

C26H28F3N5O4S — CID 25072102

IUPAC4-[1-(3,5-difluorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-sulfonamide
SMILESCC1(COc2c(N3CCN(S(=O)(=O)NCc4ccc(F)cc4)CC3)cnn(-c3cc(F)cc(F)c3)c2=O)CC1
InChIInChI=1S/C26H28F3N5O4S/c1-26(6-7-26)17-38-24-23(16-30-34(25(24)35)22-13-20(28)12-21(29)14-22)32-8-10-33(11-9-32)39(36,37)31-15-18-2-4-19(27)5-3-18/h2-5,12-14,16,31H,6-11,15,17H2,1H3
InChIKeyQZGZINXAKKFYAN-UHFFFAOYSA-N
MW563.60 g/mol
LogP2.99
Rot. Bonds9

About 4-[1-(3,5-difluorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-sulfonamide

4-[1-(3,5-difluorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-sulfonamide (PubChem CID 25072102) has the molecular formula C26H28F3N5O4S and a molecular weight of 563.60 g/mol. Its IUPAC name is 4-[1-(3,5-difluorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[1-(3,5-difluorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-sulfonamide
PubChem CID25072102
Molecular FormulaC26H28F3N5O4S
Molecular Weight563.60 g/mol
Exact Mass563.18
IUPAC Name4-[1-(3,5-difluorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-sulfonamide
SMILESCC1(COc2c(N3CCN(S(=O)(=O)NCc4ccc(F)cc4)CC3)cnn(-c3cc(F)cc(F)c3)c2=O)CC1
InChIInChI=1S/C26H28F3N5O4S/c1-26(6-7-26)17-38-24-23(16-30-34(25(24)35)22-13-20(28)12-21(29)14-22)32-8-10-33(11-9-32)39(36,37)31-15-18-2-4-19(27)5-3-18/h2-5,12-14,16,31H,6-11,15,17H2,1H3
InChIKeyQZGZINXAKKFYAN-UHFFFAOYSA-N
XLogP2.99
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.60
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[1-(3,5-difluorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-sulfonamide 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-[1-(3,5-difluorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[1-(3,5-difluorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-sulfonamide (CID 25072102) is 4-[1-(3,5-difluorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[1-(3,5-difluorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[1-(3,5-difluorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-sulfonamide is CC1(COc2c(N3CCN(S(=O)(=O)NCc4ccc(F)cc4)CC3)cnn(-c3cc(F)cc(F)c3)c2=O)CC1.
What is the InChIKey of 4-[1-(3,5-difluorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-sulfonamide?
The InChIKey is QZGZINXAKKFYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O4S/c1-26(6-7-26)17-38-24-23(16-30-34(25(24)35)22-13-20(28)12-21(29)14-22)32-8-10-33(11-9-32)39(36,37)31-15-18-2-4-19(27)5-3-18/h2-5,12-14,16,31H,6-11,15,17H2,1H3.
What are the key properties of 4-[1-(3,5-difluorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-sulfonamide?
4-[1-(3,5-difluorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-sulfonamide has a molecular weight of 563.60 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,5-difluorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 25072102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).