2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)ethanone

C26H25N5O2S — CID 58431736

IUPAC2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)ethanone
SMILESCc1nc(-c2cnccn2)sc1C(=O)Cc1ccc(N2CCC(O)(c3ccccc3)CC2)nc1
InChIInChI=1S/C26H25N5O2S/c1-18-24(34-25(30-18)21-17-27-11-12-28-21)22(32)15-19-7-8-23(29-16-19)31-13-9-26(33,10-14-31)20-5-3-2-4-6-20/h2-8,11-12,16-17,33H,9-10,13-15H2,1H3
InChIKeyPCNGVPBGMXCCDD-UHFFFAOYSA-N
MW471.59 g/mol
LogP4.22
Rot. Bonds6

About 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)ethanone

2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 58431736) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)ethanone
PubChem CID58431736
Molecular FormulaC26H25N5O2S
Molecular Weight471.59 g/mol
Exact Mass471.17
IUPAC Name2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)ethanone
SMILESCc1nc(-c2cnccn2)sc1C(=O)Cc1ccc(N2CCC(O)(c3ccccc3)CC2)nc1
InChIInChI=1S/C26H25N5O2S/c1-18-24(34-25(30-18)21-17-27-11-12-28-21)22(32)15-19-7-8-23(29-16-19)31-13-9-26(33,10-14-31)20-5-3-2-4-6-20/h2-8,11-12,16-17,33H,9-10,13-15H2,1H3
InChIKeyPCNGVPBGMXCCDD-UHFFFAOYSA-N
XLogP4.22
TPSA92.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)ethanone (CID 58431736) is 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)ethanone is Cc1nc(-c2cnccn2)sc1C(=O)Cc1ccc(N2CCC(O)(c3ccccc3)CC2)nc1.
What is the InChIKey of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)ethanone?
The InChIKey is PCNGVPBGMXCCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S/c1-18-24(34-25(30-18)21-17-27-11-12-28-21)22(32)15-19-7-8-23(29-16-19)31-13-9-26(33,10-14-31)20-5-3-2-4-6-20/h2-8,11-12,16-17,33H,9-10,13-15H2,1H3.
What are the key properties of 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)ethanone?
2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 471.59 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 58431736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).