1-(6-amino-3-pyridinyl)-2-[3-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone

C24H23N5OS — CID 159186314

IUPAC1-(6-amino-3-pyridinyl)-2-[3-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone
SMILESNc1ccc(C(=O)Cc2cccc(-c3nc(N4CCCCC4)c4sccc4n3)c2)cn1
InChIInChI=1S/C24H23N5OS/c25-21-8-7-18(15-26-21)20(30)14-16-5-4-6-17(13-16)23-27-19-9-12-31-22(19)24(28-23)29-10-2-1-3-11-29/h4-9,12-13,15H,1-3,10-11,14H2,(H2,25,26)
InChIKeyZTOUGQHALJOCOR-UHFFFAOYSA-N
MW429.55 g/mol
LogP4.75
Rot. Bonds5

About 1-(6-amino-3-pyridinyl)-2-[3-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone

1-(6-amino-3-pyridinyl)-2-[3-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone (PubChem CID 159186314) has the molecular formula C24H23N5OS and a molecular weight of 429.55 g/mol. Its IUPAC name is 1-(6-amino-3-pyridinyl)-2-[3-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-(6-amino-3-pyridinyl)-2-[3-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone
PubChem CID159186314
Molecular FormulaC24H23N5OS
Molecular Weight429.55 g/mol
Exact Mass429.16
IUPAC Name1-(6-amino-3-pyridinyl)-2-[3-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone
SMILESNc1ccc(C(=O)Cc2cccc(-c3nc(N4CCCCC4)c4sccc4n3)c2)cn1
InChIInChI=1S/C24H23N5OS/c25-21-8-7-18(15-26-21)20(30)14-16-5-4-6-17(13-16)23-27-19-9-12-31-22(19)24(28-23)29-10-2-1-3-11-29/h4-9,12-13,15H,1-3,10-11,14H2,(H2,25,26)
InChIKeyZTOUGQHALJOCOR-UHFFFAOYSA-N
XLogP4.75
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-amino-3-pyridinyl)-2-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone
CID 157355095
1-(6-amino-3-pyridinyl)-2-[3-[4-[4-(dimethylamino)cyclohexyl]thieno[3,2-d]pyrimidin-2-yl]phenyl]ethanone
CID 160925584
2-phenyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine
CID 3793347
[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] butanoate
CID 154618056
[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] decanoate
CID 154618039
2-[3-[4-(2,6-dimethyloxan-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone
CID 160925583
ethyl carbonochloridate;ethyl [3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] carbonate;3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
CID 158923662
4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 154618052
1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone
CID 148680286
(1S,4S)-5-[[3-hydroxy-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-one;1-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]but-3-en-2-one
CID 158853486
6-amino-N-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide
CID 146621558
N-[[4-[2-(2-aminopyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]morpholin-2-yl]methyl]benzamide
CID 59829363

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3-pyridinyl)-2-[3-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone?
The IUPAC name of 1-(6-amino-3-pyridinyl)-2-[3-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone (CID 159186314) is 1-(6-amino-3-pyridinyl)-2-[3-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-(6-amino-3-pyridinyl)-2-[3-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone?
The canonical SMILES for 1-(6-amino-3-pyridinyl)-2-[3-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone is Nc1ccc(C(=O)Cc2cccc(-c3nc(N4CCCCC4)c4sccc4n3)c2)cn1.
What is the InChIKey of 1-(6-amino-3-pyridinyl)-2-[3-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone?
The InChIKey is ZTOUGQHALJOCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5OS/c25-21-8-7-18(15-26-21)20(30)14-16-5-4-6-17(13-16)23-27-19-9-12-31-22(19)24(28-23)29-10-2-1-3-11-29/h4-9,12-13,15H,1-3,10-11,14H2,(H2,25,26).
What are the key properties of 1-(6-amino-3-pyridinyl)-2-[3-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone?
1-(6-amino-3-pyridinyl)-2-[3-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone has a molecular weight of 429.55 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3-pyridinyl)-2-[3-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone is sourced from PubChem (CID 159186314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).