4-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]thieno[3,2-c]pyridine

C16H17N5OS — CID 171702458

IUPAC4-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]thieno[3,2-c]pyridine
SMILESCOc1cnc(N2CCN(c3nccc4sccc34)CC2)nc1
InChIInChI=1S/C16H17N5OS/c1-22-12-10-18-16(19-11-12)21-7-5-20(6-8-21)15-13-3-9-23-14(13)2-4-17-15/h2-4,9-11H,5-8H2,1H3
InChIKeyOJONGHYOKONZPO-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.42
Rot. Bonds3

About 4-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]thieno[3,2-c]pyridine

4-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]thieno[3,2-c]pyridine (PubChem CID 171702458) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]thieno[3,2-c]pyridine
PubChem CID171702458
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name4-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]thieno[3,2-c]pyridine
SMILESCOc1cnc(N2CCN(c3nccc4sccc34)CC2)nc1
InChIInChI=1S/C16H17N5OS/c1-22-12-10-18-16(19-11-12)21-7-5-20(6-8-21)15-13-3-9-23-14(13)2-4-17-15/h2-4,9-11H,5-8H2,1H3
InChIKeyOJONGHYOKONZPO-UHFFFAOYSA-N
XLogP2.42
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 155976528
4-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]thieno[3,2-c]pyridine
CID 155976571
4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine
CID 80669496
2-[(6-methoxy-3-pyridinyl)methoxy]-1-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanone
CID 126822666
1-thieno[3,2-c]pyridin-4-ylpyrrolidine-3,4-diol
CID 106673226
2-(azetidin-1-yl)-5-methoxypyrimidine
CID 163343627
(1-methylpyrazol-4-yl)-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone
CID 172902883
1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carbaldehyde
CID 55101087
4-(4-bromo-3-methylpiperidin-1-yl)thieno[3,2-c]pyridine
CID 114682808
4-(3-bromo-4-methylpiperidin-1-yl)thieno[3,2-c]pyridine
CID 102961165
4-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-c]pyridine
CID 166601898
4-[4-(8-methylnonyl)piperazin-1-yl]thieno[3,2-c]pyridine
CID 174256279

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]thieno[3,2-c]pyridine?
The IUPAC name of 4-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]thieno[3,2-c]pyridine (CID 171702458) is 4-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]thieno[3,2-c]pyridine.
What is the SMILES notation for 4-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]thieno[3,2-c]pyridine?
The canonical SMILES for 4-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]thieno[3,2-c]pyridine is COc1cnc(N2CCN(c3nccc4sccc34)CC2)nc1.
What is the InChIKey of 4-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]thieno[3,2-c]pyridine?
The InChIKey is OJONGHYOKONZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-22-12-10-18-16(19-11-12)21-7-5-20(6-8-21)15-13-3-9-23-14(13)2-4-17-15/h2-4,9-11H,5-8H2,1H3.
What are the key properties of 4-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]thieno[3,2-c]pyridine?
4-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]thieno[3,2-c]pyridine has a molecular weight of 327.41 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]thieno[3,2-c]pyridine is sourced from PubChem (CID 171702458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).