2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)acetamide

C21H20FN7O2 — CID 42272926

IUPAC2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)acetamide
SMILESCN(Cc1ccc(F)cc1)c1ccc(OCC(=O)NCc2cn3cccnc3n2)nn1
InChIInChI=1S/C21H20FN7O2/c1-28(12-15-3-5-16(22)6-4-15)18-7-8-20(27-26-18)31-14-19(30)24-11-17-13-29-10-2-9-23-21(29)25-17/h2-10,13H,11-12,14H2,1H3,(H,24,30)
InChIKeyRCNHLKPGNLXAPG-UHFFFAOYSA-N
MW421.44 g/mol
LogP1.99
Rot. Bonds8

About 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)acetamide

2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)acetamide (PubChem CID 42272926) has the molecular formula C21H20FN7O2 and a molecular weight of 421.44 g/mol. Its IUPAC name is 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)acetamide
PubChem CID42272926
Molecular FormulaC21H20FN7O2
Molecular Weight421.44 g/mol
Exact Mass421.17
IUPAC Name2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)acetamide
SMILESCN(Cc1ccc(F)cc1)c1ccc(OCC(=O)NCc2cn3cccnc3n2)nn1
InChIInChI=1S/C21H20FN7O2/c1-28(12-15-3-5-16(22)6-4-15)18-7-8-20(27-26-18)31-14-19(30)24-11-17-13-29-10-2-9-23-21(29)25-17/h2-10,13H,11-12,14H2,1H3,(H,24,30)
InChIKeyRCNHLKPGNLXAPG-UHFFFAOYSA-N
XLogP1.99
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 51.99
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-(imidazo[1,2-a]pyrimidin-2-ylmethyl)acetamide?
The IUPAC name of 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)acetamide (CID 42272926) is 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)acetamide is CN(Cc1ccc(F)cc1)c1ccc(OCC(=O)NCc2cn3cccnc3n2)nn1.
What is the InChIKey of 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)acetamide?
The InChIKey is RCNHLKPGNLXAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7O2/c1-28(12-15-3-5-16(22)6-4-15)18-7-8-20(27-26-18)31-14-19(30)24-11-17-13-29-10-2-9-23-21(29)25-17/h2-10,13H,11-12,14H2,1H3,(H,24,30).
What are the key properties of 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)acetamide?
2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)acetamide has a molecular weight of 421.44 g/mol, XLogP of 1.99, 8 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-(imidazo[1,2-a]pyrimidin-2-ylmethyl)acetamide is sourced from PubChem (CID 42272926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).