[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridazin-3-ylmethanone

C20H19N5O2 — CID 124978644

IUPAC[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridazin-3-ylmethanone
SMILESO=C(c1cccnn1)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1
InChIInChI=1S/C20H19N5O2/c26-20(17-9-4-10-22-24-17)25-11-5-6-15(14-25)18-12-21-13-19(23-18)27-16-7-2-1-3-8-16/h1-4,7-10,12-13,15H,5-6,11,14H2/t15-/m1/s1
InChIKeyLVMHXWLWQDDMKQ-OAHLLOKOSA-N
MW361.41 g/mol
LogP3.08
Rot. Bonds4

About [(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridazin-3-ylmethanone

[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridazin-3-ylmethanone (PubChem CID 124978644) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is [(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridazin-3-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridazin-3-ylmethanone
PubChem CID124978644
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridazin-3-ylmethanone
SMILESO=C(c1cccnn1)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1
InChIInChI=1S/C20H19N5O2/c26-20(17-9-4-10-22-24-17)25-11-5-6-15(14-25)18-12-21-13-19(23-18)27-16-7-2-1-3-8-16/h1-4,7-10,12-13,15H,5-6,11,14H2/t15-/m1/s1
InChIKeyLVMHXWLWQDDMKQ-OAHLLOKOSA-N
XLogP3.08
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridazin-3-ylmethanone with MolForge

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Related Compounds

(6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124990884
2-methyl-6-[3-(6-phenoxypyrazin-2-yl)piperidine-1-carbonyl]pyridazin-3-one
CID 110256592
(2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 95823181
1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
CID 95821940
[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822293
(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 110150050
oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 95823108
[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 124988968
(4-methyl-1,3-oxazol-5-yl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124989570
[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 110148953
[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822301
[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822300

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridazin-3-ylmethanone?
The IUPAC name of [(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridazin-3-ylmethanone (CID 124978644) is [(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridazin-3-ylmethanone.
What is the SMILES notation for [(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridazin-3-ylmethanone?
The canonical SMILES for [(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridazin-3-ylmethanone is O=C(c1cccnn1)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1.
What is the InChIKey of [(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridazin-3-ylmethanone?
The InChIKey is LVMHXWLWQDDMKQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-20(17-9-4-10-22-24-17)25-11-5-6-15(14-25)18-12-21-13-19(23-18)27-16-7-2-1-3-8-16/h1-4,7-10,12-13,15H,5-6,11,14H2/t15-/m1/s1.
What are the key properties of [(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridazin-3-ylmethanone?
[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridazin-3-ylmethanone has a molecular weight of 361.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridazin-3-ylmethanone is sourced from PubChem (CID 124978644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).