5-(azetidin-1-yl)-2-[(3S)-1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one

C21H24N6O2 — CID 129325110

IUPAC5-(azetidin-1-yl)-2-[(3S)-1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one
SMILESO=C(Cn1ncc2ccccc21)N1CCC[C@H](n2ncc(N3CCC3)cc2=O)C1
InChIInChI=1S/C21H24N6O2/c28-20-11-18(24-9-4-10-24)13-23-27(20)17-6-3-8-25(14-17)21(29)15-26-19-7-2-1-5-16(19)12-22-26/h1-2,5,7,11-13,17H,3-4,6,8-10,14-15H2/t17-/m0/s1
InChIKeyWFEWSKFTWZNDFA-KRWDZBQOSA-N
MW392.46 g/mol
LogP1.67
Rot. Bonds4

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

5-(azetidin-1-yl)-2-[(3S)-1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one (PubChem CID 129325110) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-(azetidin-1-yl)-2-[(3S)-1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name5-(azetidin-1-yl)-2-[(3S)-1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one
PubChem CID129325110
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name5-(azetidin-1-yl)-2-[(3S)-1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one
SMILESO=C(Cn1ncc2ccccc21)N1CCC[C@H](n2ncc(N3CCC3)cc2=O)C1
InChIInChI=1S/C21H24N6O2/c28-20-11-18(24-9-4-10-24)13-23-27(20)17-6-3-8-25(14-17)21(29)15-26-19-7-2-1-5-16(19)12-22-26/h1-2,5,7,11-13,17H,3-4,6,8-10,14-15H2/t17-/m0/s1
InChIKeyWFEWSKFTWZNDFA-KRWDZBQOSA-N
XLogP1.67
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-(azetidin-1-yl)-2-[1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one
CID 128974471
1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid
CID 102553180
5-(azetidin-1-yl)-2-[(3S)-1-(isoquinoline-4-carbonyl)piperidin-3-yl]pyridazin-3-one
CID 129324152
2-[(3S)-3-[4-(azetidin-1-yl)-6-oxopyridazin-1-yl]piperidine-1-carbonyl]benzonitrile
CID 129323756
2-[3-[4-(azetidin-1-yl)-6-oxopyridazin-1-yl]piperidine-1-carbonyl]benzonitrile
CID 128974403
5-(azetidin-1-yl)-2-[(3S)-1-(2-phenyltriazole-4-carbonyl)piperidin-3-yl]pyridazin-3-one
CID 129323859
5-(azetidin-1-yl)-2-[1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-3-yl]pyridazin-3-one
CID 128970455
2-indazol-1-yl-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 166207781
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone
CID 111562018
5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3R)-1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]pyridazin-3-one
CID 129323569
5-(azetidin-1-yl)-2-[(3S)-1-(5-bromopyridine-2-carbonyl)piperidin-3-yl]pyridazin-3-one
CID 129324991
2-[2-oxo-2-[(4S)-4-phenylazepan-1-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 97280225

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-1-yl)-2-[(3S)-1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one?
The IUPAC name of 5-(azetidin-1-yl)-2-[(3S)-1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one (CID 129325110) is 5-(azetidin-1-yl)-2-[(3S)-1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one.
What is the SMILES notation for 5-(azetidin-1-yl)-2-[(3S)-1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one?
The canonical SMILES for 5-(azetidin-1-yl)-2-[(3S)-1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one is O=C(Cn1ncc2ccccc21)N1CCC[C@H](n2ncc(N3CCC3)cc2=O)C1.
What is the InChIKey of 5-(azetidin-1-yl)-2-[(3S)-1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one?
The InChIKey is WFEWSKFTWZNDFA-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24N6O2/c28-20-11-18(24-9-4-10-24)13-23-27(20)17-6-3-8-25(14-17)21(29)15-26-19-7-2-1-5-16(19)12-22-26/h1-2,5,7,11-13,17H,3-4,6,8-10,14-15H2/t17-/m0/s1.
What are the key properties of 5-(azetidin-1-yl)-2-[(3S)-1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one?
5-(azetidin-1-yl)-2-[(3S)-1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one has a molecular weight of 392.46 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-1-yl)-2-[(3S)-1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 129325110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).