2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[(1-methylpyrazol-4-yl)methyl]acetamide

C19H21FN6O2 — CID 26342861

IUPAC2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCN(Cc1ccc(F)cc1)c1ccc(OCC(=O)NCc2cnn(C)c2)nn1
InChIInChI=1S/C19H21FN6O2/c1-25(11-14-3-5-16(20)6-4-14)17-7-8-19(24-23-17)28-13-18(27)21-9-15-10-22-26(2)12-15/h3-8,10,12H,9,11,13H2,1-2H3,(H,21,27)
InChIKeyKMDSAVIRKHOKCP-UHFFFAOYSA-N
MW384.42 g/mol
LogP1.68
Rot. Bonds8

About 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[(1-methylpyrazol-4-yl)methyl]acetamide

2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[(1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 26342861) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[(1-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[(1-methylpyrazol-4-yl)methyl]acetamide
PubChem CID26342861
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC Name2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCN(Cc1ccc(F)cc1)c1ccc(OCC(=O)NCc2cnn(C)c2)nn1
InChIInChI=1S/C19H21FN6O2/c1-25(11-14-3-5-16(20)6-4-14)17-7-8-19(24-23-17)28-13-18(27)21-9-15-10-22-26(2)12-15/h3-8,10,12H,9,11,13H2,1-2H3,(H,21,27)
InChIKeyKMDSAVIRKHOKCP-UHFFFAOYSA-N
XLogP1.68
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[(1-methylpyrazol-4-yl)methyl]acetamide (CID 26342861) is 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[(1-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[(1-methylpyrazol-4-yl)methyl]acetamide is CN(Cc1ccc(F)cc1)c1ccc(OCC(=O)NCc2cnn(C)c2)nn1.
What is the InChIKey of 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is KMDSAVIRKHOKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-25(11-14-3-5-16(20)6-4-14)17-7-8-19(24-23-17)28-13-18(27)21-9-15-10-22-26(2)12-15/h3-8,10,12H,9,11,13H2,1-2H3,(H,21,27).
What are the key properties of 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[(1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 384.42 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[(1-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 26342861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).