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

C20H25N5O2 — CID 126929624

IUPAC2-[[1-(1-methylpiperidine-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCN1CCCC(C(=O)N2CC(Cn3nc(-c4ccncc4)ccc3=O)C2)C1
InChIInChI=1S/C20H25N5O2/c1-23-10-2-3-17(14-23)20(27)24-11-15(12-24)13-25-19(26)5-4-18(22-25)16-6-8-21-9-7-16/h4-9,15,17H,2-3,10-14H2,1H3
InChIKeyHZBBIPKSTGWGKE-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.11
Rot. Bonds4

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

2-[[1-(1-methylpiperidine-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126929624) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[[1-(1-methylpiperidine-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(1-methylpiperidine-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126929624
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-[[1-(1-methylpiperidine-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCN1CCCC(C(=O)N2CC(Cn3nc(-c4ccncc4)ccc3=O)C2)C1
InChIInChI=1S/C20H25N5O2/c1-23-10-2-3-17(14-23)20(27)24-11-15(12-24)13-25-19(26)5-4-18(22-25)16-6-8-21-9-7-16/h4-9,15,17H,2-3,10-14H2,1H3
InChIKeyHZBBIPKSTGWGKE-UHFFFAOYSA-N
XLogP1.11
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863466
N-cyclopentyl-3-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]azetidine-1-carboxamide
CID 126929617
2-[[1-(azepan-1-ylsulfonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929740
2-[[1-(cyclohex-3-ene-1-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929267
2-[[1-(cyclobutanecarbonyl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 95797494
2-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929646
2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929839
2-[[1-(isoquinoline-1-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929610
2-[[1-(3-methoxy-2-methylindazole-6-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929639
6-tert-butyl-2-[[1-(cyclobutanecarbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927631
2-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863759
2-[[1-[(2-methylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929767

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-methylpiperidine-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[[1-(1-methylpiperidine-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (CID 126929624) is 2-[[1-(1-methylpiperidine-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(1-methylpiperidine-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-(1-methylpiperidine-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is CN1CCCC(C(=O)N2CC(Cn3nc(-c4ccncc4)ccc3=O)C2)C1.
What is the InChIKey of 2-[[1-(1-methylpiperidine-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is HZBBIPKSTGWGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-23-10-2-3-17(14-23)20(27)24-11-15(12-24)13-25-19(26)5-4-18(22-25)16-6-8-21-9-7-16/h4-9,15,17H,2-3,10-14H2,1H3.
What are the key properties of 2-[[1-(1-methylpiperidine-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
2-[[1-(1-methylpiperidine-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 367.45 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-methylpiperidine-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126929624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).