2-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one

C18H15F4N5O3 — CID 158440596

IUPAC2-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
SMILESCC(F)Oc1ccc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)cn1
InChIInChI=1S/C18H15F4N5O3/c1-11(19)30-15-4-2-12(6-23-15)9-27-16(28)5-3-14(26-27)13-7-24-17(25-8-13)29-10-18(20,21)22/h2-8,11H,9-10H2,1H3
InChIKeyYKBZWGWSMAHVJY-UHFFFAOYSA-N
MW425.34 g/mol
LogP2.78
Rot. Bonds7

About 2-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one

2-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one (PubChem CID 158440596) has the molecular formula C18H15F4N5O3 and a molecular weight of 425.34 g/mol. Its IUPAC name is 2-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
PubChem CID158440596
Molecular FormulaC18H15F4N5O3
Molecular Weight425.34 g/mol
Exact Mass425.11
IUPAC Name2-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
SMILESCC(F)Oc1ccc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)cn1
InChIInChI=1S/C18H15F4N5O3/c1-11(19)30-15-4-2-12(6-23-15)9-27-16(28)5-3-14(26-27)13-7-24-17(25-8-13)29-10-18(20,21)22/h2-8,11H,9-10H2,1H3
InChIKeyYKBZWGWSMAHVJY-UHFFFAOYSA-N
XLogP2.78
TPSA92.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.34
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one with MolForge

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Related Compounds

N-[2,2-difluoro-2-[3-(2-methoxypyrimidin-5-yl)-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 71460109
2-Amino-6-(6-methoxypyridin-3-yl)-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 59258820
N-(2-((4,6-dimethylpyrimidin-2-yl)(methyl)amino)ethyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)nicotinamide
CID 121416837
2-(2,2-difluoroethoxy)-N-(2-((4,6-dimethylpyrimidin-2-yl)(methyl)amino)ethyl)-N-ethylnicotinamide
CID 121427020
6-[6-(Difluoromethoxy)pyridin-3-yl]-2-[(5-fluoropyridin-3-yl)methyl]pyridazin-3-one
CID 147766146
2-[[6-(Difluoromethoxy)pyridin-3-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
CID 148481631
2-[(5-Methoxypyridin-3-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
CID 148491034
2-[(6-Methoxypyridin-3-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
CID 148917236
6-[6-(Difluoromethoxy)pyridin-3-yl]-2-[[5-(trifluoromethyl)pyridin-3-yl]methyl]pyridazin-3-one
CID 153582997
6-[6-(Difluoromethoxy)pyridin-3-yl]-2-(pyridin-3-ylmethyl)pyridazin-3-one
CID 146940554
6-(2-((5-fluoropyridin-3-yl)methoxy)pyrimidin-5-yl)-2-((5-fluoropyridin-3-yl)methyl)pyridazin-3(2H)-one
CID 153582964
6-[4-(Difluoromethoxy)phenyl]-2-(pyrimidin-4-ylmethyl)pyridazin-3-one
CID 153582986

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?
The IUPAC name of 2-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one (CID 158440596) is 2-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one.
What is the SMILES notation for 2-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?
The canonical SMILES for 2-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one is CC(F)Oc1ccc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)cn1.
What is the InChIKey of 2-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?
The InChIKey is YKBZWGWSMAHVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N5O3/c1-11(19)30-15-4-2-12(6-23-15)9-27-16(28)5-3-14(26-27)13-7-24-17(25-8-13)29-10-18(20,21)22/h2-8,11H,9-10H2,1H3.
What are the key properties of 2-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?
2-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one has a molecular weight of 425.34 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(1-fluoroethoxy)-3-pyridinyl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one is sourced from PubChem (CID 158440596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).