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

C25H25FN6O3 — CID 26319886

IUPAC2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]acetamide
SMILESCOc1ccccc1-n1cc(CNC(=O)COc2ccc(N(C)Cc3ccc(F)cc3)nn2)cn1
InChIInChI=1S/C25H25FN6O3/c1-31(15-18-7-9-20(26)10-8-18)23-11-12-25(30-29-23)35-17-24(33)27-13-19-14-28-32(16-19)21-5-3-4-6-22(21)34-2/h3-12,14,16H,13,15,17H2,1-2H3,(H,27,33)
InChIKeySTSWWLZZZNYYON-UHFFFAOYSA-N
MW476.51 g/mol
LogP3.14
Rot. Bonds10

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

2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]acetamide (PubChem CID 26319886) has the molecular formula C25H25FN6O3 and a molecular weight of 476.51 g/mol. Its IUPAC name is 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]acetamide
PubChem CID26319886
Molecular FormulaC25H25FN6O3
Molecular Weight476.51 g/mol
Exact Mass476.20
IUPAC Name2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]acetamide
SMILESCOc1ccccc1-n1cc(CNC(=O)COc2ccc(N(C)Cc3ccc(F)cc3)nn2)cn1
InChIInChI=1S/C25H25FN6O3/c1-31(15-18-7-9-20(26)10-8-18)23-11-12-25(30-29-23)35-17-24(33)27-13-19-14-28-32(16-19)21-5-3-4-6-22(21)34-2/h3-12,14,16H,13,15,17H2,1-2H3,(H,27,33)
InChIKeySTSWWLZZZNYYON-UHFFFAOYSA-N
XLogP3.14
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-(2-methoxyphenyl)pyrazol-4-yl]methyl]acetamide?
The IUPAC name of 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]acetamide (CID 26319886) is 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]acetamide is COc1ccccc1-n1cc(CNC(=O)COc2ccc(N(C)Cc3ccc(F)cc3)nn2)cn1.
What is the InChIKey of 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]acetamide?
The InChIKey is STSWWLZZZNYYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O3/c1-31(15-18-7-9-20(26)10-8-18)23-11-12-25(30-29-23)35-17-24(33)27-13-19-14-28-32(16-19)21-5-3-4-6-22(21)34-2/h3-12,14,16H,13,15,17H2,1-2H3,(H,27,33).
What are the key properties of 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]acetamide?
2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]acetamide has a molecular weight of 476.51 g/mol, XLogP of 3.14, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]acetamide is sourced from PubChem (CID 26319886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).