[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone

C27H25N5O3 — CID 129458305

IUPAC[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
SMILESCc1cccc(Oc2nccnc2C2CCN(C(=O)c3cccc(Oc4ncccn4)c3)CC2)c1
InChIInChI=1S/C27H25N5O3/c1-19-5-2-7-22(17-19)34-25-24(28-13-14-29-25)20-9-15-32(16-10-20)26(33)21-6-3-8-23(18-21)35-27-30-11-4-12-31-27/h2-8,11-14,17-18,20H,9-10,15-16H2,1H3
InChIKeySROUYJCFXDEYNS-UHFFFAOYSA-N
MW467.53 g/mol
LogP5.18
Rot. Bonds6

About [4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone

[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone (PubChem CID 129458305) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is [4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
PubChem CID129458305
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC Name[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
SMILESCc1cccc(Oc2nccnc2C2CCN(C(=O)c3cccc(Oc4ncccn4)c3)CC2)c1
InChIInChI=1S/C27H25N5O3/c1-19-5-2-7-22(17-19)34-25-24(28-13-14-29-25)20-9-15-32(16-10-20)26(33)21-6-3-8-23(18-21)35-27-30-11-4-12-31-27/h2-8,11-14,17-18,20H,9-10,15-16H2,1H3
InChIKeySROUYJCFXDEYNS-UHFFFAOYSA-N
XLogP5.18
TPSA90.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.53
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822508
(1,3-dimethylpyrazol-4-yl)-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95822802
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110091053
[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822299
[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95822311
[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822283
1-[(3S)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821922
[3-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110149967
[3-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 125015528
[3-(imidazol-1-ylmethyl)phenyl]-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110150633
[(3S)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 95822457
[4-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 110151630

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone?
The IUPAC name of [4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone (CID 129458305) is [4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone.
What is the SMILES notation for [4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone?
The canonical SMILES for [4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone is Cc1cccc(Oc2nccnc2C2CCN(C(=O)c3cccc(Oc4ncccn4)c3)CC2)c1.
What is the InChIKey of [4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone?
The InChIKey is SROUYJCFXDEYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-19-5-2-7-22(17-19)34-25-24(28-13-14-29-25)20-9-15-32(16-10-20)26(33)21-6-3-8-23(18-21)35-27-30-11-4-12-31-27/h2-8,11-14,17-18,20H,9-10,15-16H2,1H3.
What are the key properties of [4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone?
[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone has a molecular weight of 467.53 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone is sourced from PubChem (CID 129458305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).