[2-(3-phenoxypyrazin-2-yl)sulfanylphenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C26H23N5O2S — CID 50835428

IUPAC[2-(3-phenoxypyrazin-2-yl)sulfanylphenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1Sc1nccnc1Oc1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C26H23N5O2S/c32-26(31-18-16-30(17-19-31)23-12-6-7-13-27-23)21-10-4-5-11-22(21)34-25-24(28-14-15-29-25)33-20-8-2-1-3-9-20/h1-15H,16-19H2
InChIKeyPWYUMMLQEHPMMZ-UHFFFAOYSA-N
MW469.57 g/mol
LogP4.78
Rot. Bonds6

About [2-(3-phenoxypyrazin-2-yl)sulfanylphenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[2-(3-phenoxypyrazin-2-yl)sulfanylphenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 50835428) has the molecular formula C26H23N5O2S and a molecular weight of 469.57 g/mol. Its IUPAC name is [2-(3-phenoxypyrazin-2-yl)sulfanylphenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3-phenoxypyrazin-2-yl)sulfanylphenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID50835428
Molecular FormulaC26H23N5O2S
Molecular Weight469.57 g/mol
Exact Mass469.16
IUPAC Name[2-(3-phenoxypyrazin-2-yl)sulfanylphenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1Sc1nccnc1Oc1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C26H23N5O2S/c32-26(31-18-16-30(17-19-31)23-12-6-7-13-27-23)21-10-4-5-11-22(21)34-25-24(28-14-15-29-25)33-20-8-2-1-3-9-20/h1-15H,16-19H2
InChIKeyPWYUMMLQEHPMMZ-UHFFFAOYSA-N
XLogP4.78
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(3-phenoxypyrazin-2-yl)sulfanylphenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(3-phenoxypyrazin-2-yl)sulfanylphenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 50835428) is [2-(3-phenoxypyrazin-2-yl)sulfanylphenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(3-phenoxypyrazin-2-yl)sulfanylphenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(3-phenoxypyrazin-2-yl)sulfanylphenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1ccccc1Sc1nccnc1Oc1ccccc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [2-(3-phenoxypyrazin-2-yl)sulfanylphenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is PWYUMMLQEHPMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2S/c32-26(31-18-16-30(17-19-31)23-12-6-7-13-27-23)21-10-4-5-11-22(21)34-25-24(28-14-15-29-25)33-20-8-2-1-3-9-20/h1-15H,16-19H2.
What are the key properties of [2-(3-phenoxypyrazin-2-yl)sulfanylphenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[2-(3-phenoxypyrazin-2-yl)sulfanylphenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 469.57 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-phenoxypyrazin-2-yl)sulfanylphenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 50835428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).