3-[2-[3-fluoro-4-[(6-fluoro-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyridazin-4-one

C29H21F3N4O3 — CID 167671446

IUPAC3-[2-[3-fluoro-4-[(6-fluoro-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyridazin-4-one
SMILESCc1cc(F)ccc1-c1c(C)[nH]nc(C(=O)Cc2ccc(Oc3ccnc4cc(C)c(F)nc34)c(F)c2)c1=O
InChIInChI=1S/C29H21F3N4O3/c1-14-10-18(30)5-6-19(14)25-16(3)35-36-27(28(25)38)22(37)13-17-4-7-23(20(31)12-17)39-24-8-9-33-21-11-15(2)29(32)34-26(21)24/h4-12H,13H2,1-3H3,(H,35,38)
InChIKeyUECQQYGWLCUDNI-UHFFFAOYSA-N
MW530.51 g/mol
LogP5.94
Rot. Bonds6

About 3-[2-[3-fluoro-4-[(6-fluoro-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyridazin-4-one

3-[2-[3-fluoro-4-[(6-fluoro-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyridazin-4-one (PubChem CID 167671446) has the molecular formula C29H21F3N4O3 and a molecular weight of 530.51 g/mol. Its IUPAC name is 3-[2-[3-fluoro-4-[(6-fluoro-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyridazin-4-one.

Molecular Properties

Compound Name3-[2-[3-fluoro-4-[(6-fluoro-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyridazin-4-one
PubChem CID167671446
Molecular FormulaC29H21F3N4O3
Molecular Weight530.51 g/mol
Exact Mass530.16
IUPAC Name3-[2-[3-fluoro-4-[(6-fluoro-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyridazin-4-one
SMILESCc1cc(F)ccc1-c1c(C)[nH]nc(C(=O)Cc2ccc(Oc3ccnc4cc(C)c(F)nc34)c(F)c2)c1=O
InChIInChI=1S/C29H21F3N4O3/c1-14-10-18(30)5-6-19(14)25-16(3)35-36-27(28(25)38)22(37)13-17-4-7-23(20(31)12-17)39-24-8-9-33-21-11-15(2)29(32)34-26(21)24/h4-12H,13H2,1-3H3,(H,35,38)
InChIKeyUECQQYGWLCUDNI-UHFFFAOYSA-N
XLogP5.94
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.51
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-[2-[3-fluoro-4-[(6-fluoro-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyridazin-4-one 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 3-[2-[3-fluoro-4-[(6-fluoro-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyridazin-4-one?
The IUPAC name of 3-[2-[3-fluoro-4-[(6-fluoro-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyridazin-4-one (CID 167671446) is 3-[2-[3-fluoro-4-[(6-fluoro-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyridazin-4-one.
What is the SMILES notation for 3-[2-[3-fluoro-4-[(6-fluoro-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyridazin-4-one?
The canonical SMILES for 3-[2-[3-fluoro-4-[(6-fluoro-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyridazin-4-one is Cc1cc(F)ccc1-c1c(C)[nH]nc(C(=O)Cc2ccc(Oc3ccnc4cc(C)c(F)nc34)c(F)c2)c1=O.
What is the InChIKey of 3-[2-[3-fluoro-4-[(6-fluoro-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyridazin-4-one?
The InChIKey is UECQQYGWLCUDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3N4O3/c1-14-10-18(30)5-6-19(14)25-16(3)35-36-27(28(25)38)22(37)13-17-4-7-23(20(31)12-17)39-24-8-9-33-21-11-15(2)29(32)34-26(21)24/h4-12H,13H2,1-3H3,(H,35,38).
What are the key properties of 3-[2-[3-fluoro-4-[(6-fluoro-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyridazin-4-one?
3-[2-[3-fluoro-4-[(6-fluoro-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyridazin-4-one has a molecular weight of 530.51 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-fluoro-4-[(6-fluoro-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyridazin-4-one is sourced from PubChem (CID 167671446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).