4-chloro-5-[2-(2-fluorophenoxy)ethyl-methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one

C19H15ClF4N4O2 — CID 26448244

IUPAC4-chloro-5-[2-(2-fluorophenoxy)ethyl-methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
SMILESCN(CCOc1ccccc1F)c1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl
InChIInChI=1S/C19H15ClF4N4O2/c1-27(8-9-30-15-5-3-2-4-13(15)21)14-11-26-28(18(29)17(14)20)16-7-6-12(10-25-16)19(22,23)24/h2-7,10-11H,8-9H2,1H3
InChIKeyRPFMRWDIFSXAFC-UHFFFAOYSA-N
MW442.80 g/mol
LogP3.95
Rot. Bonds6

About 4-chloro-5-[2-(2-fluorophenoxy)ethyl-methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one

4-chloro-5-[2-(2-fluorophenoxy)ethyl-methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one (PubChem CID 26448244) has the molecular formula C19H15ClF4N4O2 and a molecular weight of 442.80 g/mol. Its IUPAC name is 4-chloro-5-[2-(2-fluorophenoxy)ethyl-methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[2-(2-fluorophenoxy)ethyl-methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
PubChem CID26448244
Molecular FormulaC19H15ClF4N4O2
Molecular Weight442.80 g/mol
Exact Mass442.08
IUPAC Name4-chloro-5-[2-(2-fluorophenoxy)ethyl-methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
SMILESCN(CCOc1ccccc1F)c1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl
InChIInChI=1S/C19H15ClF4N4O2/c1-27(8-9-30-15-5-3-2-4-13(15)21)14-11-26-28(18(29)17(14)20)16-7-6-12(10-25-16)19(22,23)24/h2-7,10-11H,8-9H2,1H3
InChIKeyRPFMRWDIFSXAFC-UHFFFAOYSA-N
XLogP3.95
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.80
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-(2-fluorophenoxy)ethyl-methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The IUPAC name of 4-chloro-5-[2-(2-fluorophenoxy)ethyl-methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one (CID 26448244) is 4-chloro-5-[2-(2-fluorophenoxy)ethyl-methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[2-(2-fluorophenoxy)ethyl-methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[2-(2-fluorophenoxy)ethyl-methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one is CN(CCOc1ccccc1F)c1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-[2-(2-fluorophenoxy)ethyl-methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The InChIKey is RPFMRWDIFSXAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF4N4O2/c1-27(8-9-30-15-5-3-2-4-13(15)21)14-11-26-28(18(29)17(14)20)16-7-6-12(10-25-16)19(22,23)24/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 4-chloro-5-[2-(2-fluorophenoxy)ethyl-methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
4-chloro-5-[2-(2-fluorophenoxy)ethyl-methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one has a molecular weight of 442.80 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-(2-fluorophenoxy)ethyl-methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one is sourced from PubChem (CID 26448244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).