2-[[1-[(2-methylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

C19H20N6O — CID 126929767

IUPAC2-[[1-[(2-methylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCc1ncc(CN2CC(Cn3nc(-c4ccncc4)ccc3=O)C2)cn1
InChIInChI=1S/C19H20N6O/c1-14-21-8-15(9-22-14)10-24-11-16(12-24)13-25-19(26)3-2-18(23-25)17-4-6-20-7-5-17/h2-9,16H,10-13H2,1H3
InChIKeyCQLZXQWFIXUSTC-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.54
Rot. Bonds5

About 2-[[1-[(2-methylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

2-[[1-[(2-methylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126929767) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[[1-[(2-methylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(2-methylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126929767
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2-[[1-[(2-methylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCc1ncc(CN2CC(Cn3nc(-c4ccncc4)ccc3=O)C2)cn1
InChIInChI=1S/C19H20N6O/c1-14-21-8-15(9-22-14)10-24-11-16(12-24)13-25-19(26)3-2-18(23-25)17-4-6-20-7-5-17/h2-9,16H,10-13H2,1H3
InChIKeyCQLZXQWFIXUSTC-UHFFFAOYSA-N
XLogP1.54
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-[(2-methylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one with MolForge

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Related Compounds

2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929788
2-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929789
2-[[1-[2-(1-methylimidazol-2-yl)ethyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929797
2-[[1-(4-methylpyrimidin-2-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929734
2-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929915
2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929839
6-pyridin-4-yl-2-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126929813
2-[[1-(4-methyl-1,3-thiazol-2-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929900
6-cyclopropyl-2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927419
6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927417
2-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929452
2-[[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863595

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-methylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[[1-[(2-methylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (CID 126929767) is 2-[[1-[(2-methylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-[(2-methylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-[(2-methylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is Cc1ncc(CN2CC(Cn3nc(-c4ccncc4)ccc3=O)C2)cn1.
What is the InChIKey of 2-[[1-[(2-methylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is CQLZXQWFIXUSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-14-21-8-15(9-22-14)10-24-11-16(12-24)13-25-19(26)3-2-18(23-25)17-4-6-20-7-5-17/h2-9,16H,10-13H2,1H3.
What are the key properties of 2-[[1-[(2-methylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
2-[[1-[(2-methylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 348.41 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-methylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126929767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).