6-pyridin-3-yl-2-[[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]methyl]pyridazin-3-one

C20H16F3N5O2 — CID 126929268

IUPAC6-pyridin-3-yl-2-[[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2nc(-c3cccnc3)ccc2=O)C1
InChIInChI=1S/C20H16F3N5O2/c21-20(22,23)17-5-3-15(9-25-17)19(30)27-10-13(11-27)12-28-18(29)6-4-16(26-28)14-2-1-7-24-8-14/h1-9,13H,10-12H2
InChIKeyLDTHZAWBXLKTGJ-UHFFFAOYSA-N
MW415.38 g/mol
LogP2.49
Rot. Bonds4

About 6-pyridin-3-yl-2-[[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]methyl]pyridazin-3-one

6-pyridin-3-yl-2-[[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126929268) has the molecular formula C20H16F3N5O2 and a molecular weight of 415.38 g/mol. Its IUPAC name is 6-pyridin-3-yl-2-[[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-pyridin-3-yl-2-[[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126929268
Molecular FormulaC20H16F3N5O2
Molecular Weight415.38 g/mol
Exact Mass415.13
IUPAC Name6-pyridin-3-yl-2-[[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2nc(-c3cccnc3)ccc2=O)C1
InChIInChI=1S/C20H16F3N5O2/c21-20(22,23)17-5-3-15(9-25-17)19(30)27-10-13(11-27)12-28-18(29)6-4-16(26-28)14-2-1-7-24-8-14/h1-9,13H,10-12H2
InChIKeyLDTHZAWBXLKTGJ-UHFFFAOYSA-N
XLogP2.49
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-pyridin-3-yl-2-[[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929278
2-[[1-(cyclohex-3-ene-1-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929267
2-[[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929260
2-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929592
2-[[1-(isoquinoline-1-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929610
2-[[1-[(1-acetylpyrrolidin-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929481
6-pyridin-3-yl-2-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126929526
2-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929341
2-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929452
3-methyl-2-[3-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]azetidin-1-yl]pyrido[2,3-d]pyrimidin-4-one
CID 126929579
2-[[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929413
6-pyridin-3-yl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126929525

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yl-2-[[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-pyridin-3-yl-2-[[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]methyl]pyridazin-3-one (CID 126929268) is 6-pyridin-3-yl-2-[[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-pyridin-3-yl-2-[[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-pyridin-3-yl-2-[[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]methyl]pyridazin-3-one is O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2nc(-c3cccnc3)ccc2=O)C1.
What is the InChIKey of 6-pyridin-3-yl-2-[[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is LDTHZAWBXLKTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O2/c21-20(22,23)17-5-3-15(9-25-17)19(30)27-10-13(11-27)12-28-18(29)6-4-16(26-28)14-2-1-7-24-8-14/h1-9,13H,10-12H2.
What are the key properties of 6-pyridin-3-yl-2-[[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]methyl]pyridazin-3-one?
6-pyridin-3-yl-2-[[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 415.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yl-2-[[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126929268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).