[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone

C25H22N6O2 — CID 124988968

IUPAC[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(-c2cncnc2)nc1)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1
InChIInChI=1S/C25H22N6O2/c32-25(18-8-9-22(29-13-18)20-11-27-17-28-12-20)31-10-4-5-19(16-31)23-14-26-15-24(30-23)33-21-6-2-1-3-7-21/h1-3,6-9,11-15,17,19H,4-5,10,16H2/t19-/m0/s1
InChIKeyOQXALQTUJMBMFF-IBGZPJMESA-N
MW438.49 g/mol
LogP4.14
Rot. Bonds5

About [(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone

[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone (PubChem CID 124988968) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is [(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
PubChem CID124988968
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC Name[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(-c2cncnc2)nc1)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1
InChIInChI=1S/C25H22N6O2/c32-25(18-8-9-22(29-13-18)20-11-27-17-28-12-20)31-10-4-5-19(16-31)23-14-26-15-24(30-23)33-21-6-2-1-3-7-21/h1-3,6-9,11-15,17,19H,4-5,10,16H2/t19-/m0/s1
InChIKeyOQXALQTUJMBMFF-IBGZPJMESA-N
XLogP4.14
TPSA93.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 110148953
[(3S)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-pyrimidin-5-yl-4-pyridinyl)methanone
CID 124982819
[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone
CID 124975077
(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
(4-methyl-1,3-oxazol-5-yl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124989570
[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 125002633
[(3R)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 124995367
oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 95823108
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
[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822293

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone?
The IUPAC name of [(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone (CID 124988968) is [(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone.
What is the SMILES notation for [(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone?
The canonical SMILES for [(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone is O=C(c1ccc(-c2cncnc2)nc1)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1.
What is the InChIKey of [(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone?
The InChIKey is OQXALQTUJMBMFF-IBGZPJMESA-N. The full InChI is InChI=1S/C25H22N6O2/c32-25(18-8-9-22(29-13-18)20-11-27-17-28-12-20)31-10-4-5-19(16-31)23-14-26-15-24(30-23)33-21-6-2-1-3-7-21/h1-3,6-9,11-15,17,19H,4-5,10,16H2/t19-/m0/s1.
What are the key properties of [(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone?
[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone has a molecular weight of 438.49 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone is sourced from PubChem (CID 124988968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).