2-[[1-[2-(methoxymethyl)pyrimidin-4-yl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

C19H20N6O2 — CID 126929861

IUPAC2-[[1-[2-(methoxymethyl)pyrimidin-4-yl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCOCc1nccc(N2CC(Cn3nc(-c4ccncc4)ccc3=O)C2)n1
InChIInChI=1S/C19H20N6O2/c1-27-13-17-21-9-6-18(22-17)24-10-14(11-24)12-25-19(26)3-2-16(23-25)15-4-7-20-8-5-15/h2-9,14H,10-13H2,1H3
InChIKeyKXMMHRFTFORIND-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.38
Rot. Bonds6

About 2-[[1-[2-(methoxymethyl)pyrimidin-4-yl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

2-[[1-[2-(methoxymethyl)pyrimidin-4-yl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126929861) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[[1-[2-(methoxymethyl)pyrimidin-4-yl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[2-(methoxymethyl)pyrimidin-4-yl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126929861
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name2-[[1-[2-(methoxymethyl)pyrimidin-4-yl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCOCc1nccc(N2CC(Cn3nc(-c4ccncc4)ccc3=O)C2)n1
InChIInChI=1S/C19H20N6O2/c1-27-13-17-21-9-6-18(22-17)24-10-14(11-24)12-25-19(26)3-2-16(23-25)15-4-7-20-8-5-15/h2-9,14H,10-13H2,1H3
InChIKeyKXMMHRFTFORIND-UHFFFAOYSA-N
XLogP1.38
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[1-[2-(methoxymethyl)pyrimidin-4-yl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one with MolForge

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Related Compounds

2-[[1-(4-methylpyrimidin-2-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929734
2-[[1-(4-methyl-1,3-thiazol-2-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929900
2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929722
2-[[1-[2-(difluoromethyl)quinazolin-4-yl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929847
2-[[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929849
2-[[1-[(2-methylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929767
6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126929664
2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863499
2-[[1-(isoquinoline-1-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929610
2-[[1-(6-methoxyquinolin-4-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863495
2-[[1-[2-(1-methylimidazol-2-yl)ethyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929797
2-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929789

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(methoxymethyl)pyrimidin-4-yl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[[1-[2-(methoxymethyl)pyrimidin-4-yl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (CID 126929861) is 2-[[1-[2-(methoxymethyl)pyrimidin-4-yl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-[2-(methoxymethyl)pyrimidin-4-yl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-[2-(methoxymethyl)pyrimidin-4-yl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is COCc1nccc(N2CC(Cn3nc(-c4ccncc4)ccc3=O)C2)n1.
What is the InChIKey of 2-[[1-[2-(methoxymethyl)pyrimidin-4-yl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is KXMMHRFTFORIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-27-13-17-21-9-6-18(22-17)24-10-14(11-24)12-25-19(26)3-2-16(23-25)15-4-7-20-8-5-15/h2-9,14H,10-13H2,1H3.
What are the key properties of 2-[[1-[2-(methoxymethyl)pyrimidin-4-yl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
2-[[1-[2-(methoxymethyl)pyrimidin-4-yl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 364.41 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(methoxymethyl)pyrimidin-4-yl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126929861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).