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

C23H21N7OS — CID 66562134

IUPAC4-[4-[5-amino-6-[3-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile
SMILESCc1ccsc1-c1cc(-c2nc(-c3ccnc(C4(C#N)CCNCC4)c3)cnc2N)on1
InChIInChI=1S/C23H21N7OS/c1-14-3-9-32-21(14)16-11-18(31-30-16)20-22(25)28-12-17(29-20)15-2-6-27-19(10-15)23(13-24)4-7-26-8-5-23/h2-3,6,9-12,26H,4-5,7-8H2,1H3,(H2,25,28)
InChIKeyFRXXRRGBIXWJOO-UHFFFAOYSA-N
MW443.54 g/mol
LogP3.96
Rot. Bonds4

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

4-[4-[5-amino-6-[3-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile (PubChem CID 66562134) has the molecular formula C23H21N7OS and a molecular weight of 443.54 g/mol. Its IUPAC name is 4-[4-[5-amino-6-[3-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-[4-[5-amino-6-[3-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile
PubChem CID66562134
Molecular FormulaC23H21N7OS
Molecular Weight443.54 g/mol
Exact Mass443.15
IUPAC Name4-[4-[5-amino-6-[3-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile
SMILESCc1ccsc1-c1cc(-c2nc(-c3ccnc(C4(C#N)CCNCC4)c3)cnc2N)on1
InChIInChI=1S/C23H21N7OS/c1-14-3-9-32-21(14)16-11-18(31-30-16)20-22(25)28-12-17(29-20)15-2-6-27-19(10-15)23(13-24)4-7-26-8-5-23/h2-3,6,9-12,26H,4-5,7-8H2,1H3,(H2,25,28)
InChIKeyFRXXRRGBIXWJOO-UHFFFAOYSA-N
XLogP3.96
TPSA126.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 53.96
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-(3-methylthiophen-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-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile (CID 66562134) is 4-[4-[5-amino-6-[3-(3-methylthiophen-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-(3-methylthiophen-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-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile is Cc1ccsc1-c1cc(-c2nc(-c3ccnc(C4(C#N)CCNCC4)c3)cnc2N)on1.
What is the InChIKey of 4-[4-[5-amino-6-[3-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile?
The InChIKey is FRXXRRGBIXWJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7OS/c1-14-3-9-32-21(14)16-11-18(31-30-16)20-22(25)28-12-17(29-20)15-2-6-27-19(10-15)23(13-24)4-7-26-8-5-23/h2-3,6,9-12,26H,4-5,7-8H2,1H3,(H2,25,28).
What are the key properties of 4-[4-[5-amino-6-[3-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile?
4-[4-[5-amino-6-[3-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile has a molecular weight of 443.54 g/mol, XLogP of 3.96, 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-(3-methylthiophen-2-yl)-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]piperidine-4-carbonitrile is sourced from PubChem (CID 66562134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).