4-[4-[5-amino-6-(3-thiophen-2-yl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile

C22H19N7OS — CID 66562243

IUPAC4-[4-[5-amino-6-(3-thiophen-2-yl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile
SMILESN#CC1(c2cc(-c3cnc(N)c(-c4cc(-c5cccs5)no4)n3)ccn2)CCNCC1
InChIInChI=1S/C22H19N7OS/c23-13-22(4-7-25-8-5-22)19-10-14(3-6-26-19)16-12-27-21(24)20(28-16)17-11-15(29-30-17)18-2-1-9-31-18/h1-3,6,9-12,25H,4-5,7-8H2,(H2,24,27)
InChIKeyCHZDBRNFYNEXKE-UHFFFAOYSA-N
MW429.51 g/mol
LogP3.65
Rot. Bonds4

About 4-[4-[5-amino-6-(3-thiophen-2-yl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile

4-[4-[5-amino-6-(3-thiophen-2-yl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile (PubChem CID 66562243) has the molecular formula C22H19N7OS and a molecular weight of 429.51 g/mol. Its IUPAC name is 4-[4-[5-amino-6-(3-thiophen-2-yl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-[4-[5-amino-6-(3-thiophen-2-yl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile
PubChem CID66562243
Molecular FormulaC22H19N7OS
Molecular Weight429.51 g/mol
Exact Mass429.14
IUPAC Name4-[4-[5-amino-6-(3-thiophen-2-yl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile
SMILESN#CC1(c2cc(-c3cnc(N)c(-c4cc(-c5cccs5)no4)n3)ccn2)CCNCC1
InChIInChI=1S/C22H19N7OS/c23-13-22(4-7-25-8-5-22)19-10-14(3-6-26-19)16-12-27-21(24)20(28-16)17-11-15(29-30-17)18-2-1-9-31-18/h1-3,6,9-12,25H,4-5,7-8H2,(H2,24,27)
InChIKeyCHZDBRNFYNEXKE-UHFFFAOYSA-N
XLogP3.65
TPSA126.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-amino-6-(3-thiophen-2-yl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile?
The IUPAC name of 4-[4-[5-amino-6-(3-thiophen-2-yl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile (CID 66562243) is 4-[4-[5-amino-6-(3-thiophen-2-yl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile.
What is the SMILES notation for 4-[4-[5-amino-6-(3-thiophen-2-yl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile?
The canonical SMILES for 4-[4-[5-amino-6-(3-thiophen-2-yl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile is N#CC1(c2cc(-c3cnc(N)c(-c4cc(-c5cccs5)no4)n3)ccn2)CCNCC1.
What is the InChIKey of 4-[4-[5-amino-6-(3-thiophen-2-yl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile?
The InChIKey is CHZDBRNFYNEXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7OS/c23-13-22(4-7-25-8-5-22)19-10-14(3-6-26-19)16-12-27-21(24)20(28-16)17-11-15(29-30-17)18-2-1-9-31-18/h1-3,6,9-12,25H,4-5,7-8H2,(H2,24,27).
What are the key properties of 4-[4-[5-amino-6-(3-thiophen-2-yl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile?
4-[4-[5-amino-6-(3-thiophen-2-yl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile has a molecular weight of 429.51 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-amino-6-(3-thiophen-2-yl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile is sourced from PubChem (CID 66562243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).