N-[[5-[4-[5-amino-2-(4-chlorophenyl)-3-oxopyridazin-4-yl]oxyphenyl]-2-fluorophenyl]methyl]acetamide

C25H20ClFN4O3 — CID 71103285

IUPACN-[[5-[4-[5-amino-2-(4-chlorophenyl)-3-oxopyridazin-4-yl]oxyphenyl]-2-fluorophenyl]methyl]acetamide
SMILESCC(=O)NCc1cc(-c2ccc(Oc3c(N)cnn(-c4ccc(Cl)cc4)c3=O)cc2)ccc1F
InChIInChI=1S/C25H20ClFN4O3/c1-15(32)29-13-18-12-17(4-11-22(18)27)16-2-9-21(10-3-16)34-24-23(28)14-30-31(25(24)33)20-7-5-19(26)6-8-20/h2-12,14H,13,28H2,1H3,(H,29,32)
InChIKeyLZRSQQCCWXPKSR-UHFFFAOYSA-N
MW478.91 g/mol
LogP4.70
Rot. Bonds6

About N-[[5-[4-[5-amino-2-(4-chlorophenyl)-3-oxopyridazin-4-yl]oxyphenyl]-2-fluorophenyl]methyl]acetamide

N-[[5-[4-[5-amino-2-(4-chlorophenyl)-3-oxopyridazin-4-yl]oxyphenyl]-2-fluorophenyl]methyl]acetamide (PubChem CID 71103285) has the molecular formula C25H20ClFN4O3 and a molecular weight of 478.91 g/mol. Its IUPAC name is N-[[5-[4-[5-amino-2-(4-chlorophenyl)-3-oxopyridazin-4-yl]oxyphenyl]-2-fluorophenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[4-[5-amino-2-(4-chlorophenyl)-3-oxopyridazin-4-yl]oxyphenyl]-2-fluorophenyl]methyl]acetamide
PubChem CID71103285
Molecular FormulaC25H20ClFN4O3
Molecular Weight478.91 g/mol
Exact Mass478.12
IUPAC NameN-[[5-[4-[5-amino-2-(4-chlorophenyl)-3-oxopyridazin-4-yl]oxyphenyl]-2-fluorophenyl]methyl]acetamide
SMILESCC(=O)NCc1cc(-c2ccc(Oc3c(N)cnn(-c4ccc(Cl)cc4)c3=O)cc2)ccc1F
InChIInChI=1S/C25H20ClFN4O3/c1-15(32)29-13-18-12-17(4-11-22(18)27)16-2-9-21(10-3-16)34-24-23(28)14-30-31(25(24)33)20-7-5-19(26)6-8-20/h2-12,14H,13,28H2,1H3,(H,29,32)
InChIKeyLZRSQQCCWXPKSR-UHFFFAOYSA-N
XLogP4.70
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.91
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-[5-amino-2-(4-chlorophenyl)-3-oxopyridazin-4-yl]oxyphenyl]-2-fluorophenyl]methyl]acetamide?
The IUPAC name of N-[[5-[4-[5-amino-2-(4-chlorophenyl)-3-oxopyridazin-4-yl]oxyphenyl]-2-fluorophenyl]methyl]acetamide (CID 71103285) is N-[[5-[4-[5-amino-2-(4-chlorophenyl)-3-oxopyridazin-4-yl]oxyphenyl]-2-fluorophenyl]methyl]acetamide.
What is the SMILES notation for N-[[5-[4-[5-amino-2-(4-chlorophenyl)-3-oxopyridazin-4-yl]oxyphenyl]-2-fluorophenyl]methyl]acetamide?
The canonical SMILES for N-[[5-[4-[5-amino-2-(4-chlorophenyl)-3-oxopyridazin-4-yl]oxyphenyl]-2-fluorophenyl]methyl]acetamide is CC(=O)NCc1cc(-c2ccc(Oc3c(N)cnn(-c4ccc(Cl)cc4)c3=O)cc2)ccc1F.
What is the InChIKey of N-[[5-[4-[5-amino-2-(4-chlorophenyl)-3-oxopyridazin-4-yl]oxyphenyl]-2-fluorophenyl]methyl]acetamide?
The InChIKey is LZRSQQCCWXPKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN4O3/c1-15(32)29-13-18-12-17(4-11-22(18)27)16-2-9-21(10-3-16)34-24-23(28)14-30-31(25(24)33)20-7-5-19(26)6-8-20/h2-12,14H,13,28H2,1H3,(H,29,32).
What are the key properties of N-[[5-[4-[5-amino-2-(4-chlorophenyl)-3-oxopyridazin-4-yl]oxyphenyl]-2-fluorophenyl]methyl]acetamide?
N-[[5-[4-[5-amino-2-(4-chlorophenyl)-3-oxopyridazin-4-yl]oxyphenyl]-2-fluorophenyl]methyl]acetamide has a molecular weight of 478.91 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-[5-amino-2-(4-chlorophenyl)-3-oxopyridazin-4-yl]oxyphenyl]-2-fluorophenyl]methyl]acetamide is sourced from PubChem (CID 71103285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).