5-(azetidin-1-yl)-2-[(3S)-1-(5-bromopyridine-2-carbonyl)piperidin-3-yl]pyridazin-3-one

C18H20BrN5O2 — CID 129324991

IUPAC5-(azetidin-1-yl)-2-[(3S)-1-(5-bromopyridine-2-carbonyl)piperidin-3-yl]pyridazin-3-one
SMILESO=C(c1ccc(Br)cn1)N1CCC[C@H](n2ncc(N3CCC3)cc2=O)C1
InChIInChI=1S/C18H20BrN5O2/c19-13-4-5-16(20-10-13)18(26)23-6-1-3-14(12-23)24-17(25)9-15(11-21-24)22-7-2-8-22/h4-5,9-11,14H,1-3,6-8,12H2/t14-/m0/s1
InChIKeyUQECOHBJDSOGOW-AWEZNQCLSA-N
MW418.30 g/mol
LogP2.09
Rot. Bonds3

About 5-(azetidin-1-yl)-2-[(3S)-1-(5-bromopyridine-2-carbonyl)piperidin-3-yl]pyridazin-3-one

5-(azetidin-1-yl)-2-[(3S)-1-(5-bromopyridine-2-carbonyl)piperidin-3-yl]pyridazin-3-one (PubChem CID 129324991) has the molecular formula C18H20BrN5O2 and a molecular weight of 418.30 g/mol. Its IUPAC name is 5-(azetidin-1-yl)-2-[(3S)-1-(5-bromopyridine-2-carbonyl)piperidin-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name5-(azetidin-1-yl)-2-[(3S)-1-(5-bromopyridine-2-carbonyl)piperidin-3-yl]pyridazin-3-one
PubChem CID129324991
Molecular FormulaC18H20BrN5O2
Molecular Weight418.30 g/mol
Exact Mass417.08
IUPAC Name5-(azetidin-1-yl)-2-[(3S)-1-(5-bromopyridine-2-carbonyl)piperidin-3-yl]pyridazin-3-one
SMILESO=C(c1ccc(Br)cn1)N1CCC[C@H](n2ncc(N3CCC3)cc2=O)C1
InChIInChI=1S/C18H20BrN5O2/c19-13-4-5-16(20-10-13)18(26)23-6-1-3-14(12-23)24-17(25)9-15(11-21-24)22-7-2-8-22/h4-5,9-11,14H,1-3,6-8,12H2/t14-/m0/s1
InChIKeyUQECOHBJDSOGOW-AWEZNQCLSA-N
XLogP2.09
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(azetidin-1-yl)-2-[(3S)-1-(5-bromopyridine-2-carbonyl)piperidin-3-yl]pyridazin-3-one with MolForge

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Related Compounds

5-(azetidin-1-yl)-2-[(3S)-1-(2-phenyltriazole-4-carbonyl)piperidin-3-yl]pyridazin-3-one
CID 129323859
2-[3-[4-(azetidin-1-yl)-6-oxopyridazin-1-yl]piperidine-1-carbonyl]benzonitrile
CID 128974403
2-[(3S)-3-[4-(azetidin-1-yl)-6-oxopyridazin-1-yl]piperidine-1-carbonyl]benzonitrile
CID 129323756
5-(azetidin-1-yl)-2-[(3S)-1-(isoquinoline-4-carbonyl)piperidin-3-yl]pyridazin-3-one
CID 129324152
2-[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 128987682
5-(azetidin-1-yl)-2-[(3S)-1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one
CID 129325110
5-(azetidin-1-yl)-2-[1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one
CID 128974471
[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62959741
2-[(3R)-1-(4-chloro-3-methylbenzoyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
CID 129324382
(5-bromo-2-pyridinyl)-[3-(2-chloroethyl)piperidin-1-yl]methanone
CID 63396142
[3-(2-aminoethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone;dihydrochloride
CID 120727576
5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3R)-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]pyridazin-3-one
CID 129325080

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-1-yl)-2-[(3S)-1-(5-bromopyridine-2-carbonyl)piperidin-3-yl]pyridazin-3-one?
The IUPAC name of 5-(azetidin-1-yl)-2-[(3S)-1-(5-bromopyridine-2-carbonyl)piperidin-3-yl]pyridazin-3-one (CID 129324991) is 5-(azetidin-1-yl)-2-[(3S)-1-(5-bromopyridine-2-carbonyl)piperidin-3-yl]pyridazin-3-one.
What is the SMILES notation for 5-(azetidin-1-yl)-2-[(3S)-1-(5-bromopyridine-2-carbonyl)piperidin-3-yl]pyridazin-3-one?
The canonical SMILES for 5-(azetidin-1-yl)-2-[(3S)-1-(5-bromopyridine-2-carbonyl)piperidin-3-yl]pyridazin-3-one is O=C(c1ccc(Br)cn1)N1CCC[C@H](n2ncc(N3CCC3)cc2=O)C1.
What is the InChIKey of 5-(azetidin-1-yl)-2-[(3S)-1-(5-bromopyridine-2-carbonyl)piperidin-3-yl]pyridazin-3-one?
The InChIKey is UQECOHBJDSOGOW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20BrN5O2/c19-13-4-5-16(20-10-13)18(26)23-6-1-3-14(12-23)24-17(25)9-15(11-21-24)22-7-2-8-22/h4-5,9-11,14H,1-3,6-8,12H2/t14-/m0/s1.
What are the key properties of 5-(azetidin-1-yl)-2-[(3S)-1-(5-bromopyridine-2-carbonyl)piperidin-3-yl]pyridazin-3-one?
5-(azetidin-1-yl)-2-[(3S)-1-(5-bromopyridine-2-carbonyl)piperidin-3-yl]pyridazin-3-one has a molecular weight of 418.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-1-yl)-2-[(3S)-1-(5-bromopyridine-2-carbonyl)piperidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 129324991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).