2-methyl-6-[3-(6-phenoxypyrazin-2-yl)piperidine-1-carbonyl]pyridazin-3-one

C21H21N5O3 — CID 110256592

IUPAC2-methyl-6-[3-(6-phenoxypyrazin-2-yl)piperidine-1-carbonyl]pyridazin-3-one
SMILESCn1nc(C(=O)N2CCCC(c3cncc(Oc4ccccc4)n3)C2)ccc1=O
InChIInChI=1S/C21H21N5O3/c1-25-20(27)10-9-17(24-25)21(28)26-11-5-6-15(14-26)18-12-22-13-19(23-18)29-16-7-3-2-4-8-16/h2-4,7-10,12-13,15H,5-6,11,14H2,1H3
InChIKeySMDJEEJYSLDUHL-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.38
Rot. Bonds4

About 2-methyl-6-[3-(6-phenoxypyrazin-2-yl)piperidine-1-carbonyl]pyridazin-3-one

2-methyl-6-[3-(6-phenoxypyrazin-2-yl)piperidine-1-carbonyl]pyridazin-3-one (PubChem CID 110256592) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-methyl-6-[3-(6-phenoxypyrazin-2-yl)piperidine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[3-(6-phenoxypyrazin-2-yl)piperidine-1-carbonyl]pyridazin-3-one
PubChem CID110256592
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name2-methyl-6-[3-(6-phenoxypyrazin-2-yl)piperidine-1-carbonyl]pyridazin-3-one
SMILESCn1nc(C(=O)N2CCCC(c3cncc(Oc4ccccc4)n3)C2)ccc1=O
InChIInChI=1S/C21H21N5O3/c1-25-20(27)10-9-17(24-25)21(28)26-11-5-6-15(14-26)18-12-22-13-19(23-18)29-16-7-3-2-4-8-16/h2-4,7-10,12-13,15H,5-6,11,14H2,1H3
InChIKeySMDJEEJYSLDUHL-UHFFFAOYSA-N
XLogP2.38
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-6-[3-(6-phenoxypyrazin-2-yl)piperidine-1-carbonyl]pyridazin-3-one with MolForge

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Related Compounds

(6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124990884
[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridazin-3-ylmethanone
CID 124978644
(2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 95823181
(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 110150050
(4-methyl-1,3-oxazol-5-yl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124989570
oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 95823108
[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 110148953
[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 124988968
1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
CID 95821940
1-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 110256535
N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide
CID 110256642
N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide
CID 110148762

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-(6-phenoxypyrazin-2-yl)piperidine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[3-(6-phenoxypyrazin-2-yl)piperidine-1-carbonyl]pyridazin-3-one (CID 110256592) is 2-methyl-6-[3-(6-phenoxypyrazin-2-yl)piperidine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[3-(6-phenoxypyrazin-2-yl)piperidine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[3-(6-phenoxypyrazin-2-yl)piperidine-1-carbonyl]pyridazin-3-one is Cn1nc(C(=O)N2CCCC(c3cncc(Oc4ccccc4)n3)C2)ccc1=O.
What is the InChIKey of 2-methyl-6-[3-(6-phenoxypyrazin-2-yl)piperidine-1-carbonyl]pyridazin-3-one?
The InChIKey is SMDJEEJYSLDUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-25-20(27)10-9-17(24-25)21(28)26-11-5-6-15(14-26)18-12-22-13-19(23-18)29-16-7-3-2-4-8-16/h2-4,7-10,12-13,15H,5-6,11,14H2,1H3.
What are the key properties of 2-methyl-6-[3-(6-phenoxypyrazin-2-yl)piperidine-1-carbonyl]pyridazin-3-one?
2-methyl-6-[3-(6-phenoxypyrazin-2-yl)piperidine-1-carbonyl]pyridazin-3-one has a molecular weight of 391.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-(6-phenoxypyrazin-2-yl)piperidine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 110256592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).