5-[5-[(2S)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine

C24H28N10O — CID 56952560

IUPAC5-[5-[(2S)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCC(C)[C@@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnc(N3CCNCC3)cn2)n1
InChIInChI=1S/C24H28N10O/c1-15(2)24(3,17-4-5-18(27-12-17)16-10-30-23(25)31-11-16)22-32-21(35-33-22)19-13-29-20(14-28-19)34-8-6-26-7-9-34/h4-5,10-15,26H,6-9H2,1-3H3,(H2,25,30,31)/t24-/m0/s1
InChIKeyONXLIPOONYIUIE-DEOSSOPVSA-N
MW472.56 g/mol
LogP2.33
Rot. Bonds6

About 5-[5-[(2S)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine

5-[5-[(2S)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 56952560) has the molecular formula C24H28N10O and a molecular weight of 472.56 g/mol. Its IUPAC name is 5-[5-[(2S)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[(2S)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID56952560
Molecular FormulaC24H28N10O
Molecular Weight472.56 g/mol
Exact Mass472.24
IUPAC Name5-[5-[(2S)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCC(C)[C@@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnc(N3CCNCC3)cn2)n1
InChIInChI=1S/C24H28N10O/c1-15(2)24(3,17-4-5-18(27-12-17)16-10-30-23(25)31-11-16)22-32-21(35-33-22)19-13-29-20(14-28-19)34-8-6-26-7-9-34/h4-5,10-15,26H,6-9H2,1-3H3,(H2,25,30,31)/t24-/m0/s1
InChIKeyONXLIPOONYIUIE-DEOSSOPVSA-N
XLogP2.33
TPSA144.66 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.56
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 5-[5-[(2S)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2S)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[(2S)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine (CID 56952560) is 5-[5-[(2S)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[(2S)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[(2S)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine is CC(C)[C@@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnc(N3CCNCC3)cn2)n1.
What is the InChIKey of 5-[5-[(2S)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is ONXLIPOONYIUIE-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H28N10O/c1-15(2)24(3,17-4-5-18(27-12-17)16-10-30-23(25)31-11-16)22-32-21(35-33-22)19-13-29-20(14-28-19)34-8-6-26-7-9-34/h4-5,10-15,26H,6-9H2,1-3H3,(H2,25,30,31)/t24-/m0/s1.
What are the key properties of 5-[5-[(2S)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[(2S)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 472.56 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2S)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 56952560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).