4-[[2-[(2R)-2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile

C21H24N8O2 — CID 51030711

IUPAC4-[[2-[(2R)-2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile
SMILESCC(C)c1nc(N2CCN(c3ncc(OCc4ccncc4C#N)cn3)[C@H](C)C2)no1
InChIInChI=1S/C21H24N8O2/c1-14(2)19-26-21(27-31-19)28-6-7-29(15(3)12-28)20-24-10-18(11-25-20)30-13-16-4-5-23-9-17(16)8-22/h4-5,9-11,14-15H,6-7,12-13H2,1-3H3/t15-/m1/s1
InChIKeyUNGZTVLHLKAKQE-OAHLLOKOSA-N
MW420.48 g/mol
LogP2.54
Rot. Bonds6

About 4-[[2-[(2R)-2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile

4-[[2-[(2R)-2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile (PubChem CID 51030711) has the molecular formula C21H24N8O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 4-[[2-[(2R)-2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[[2-[(2R)-2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile
PubChem CID51030711
Molecular FormulaC21H24N8O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name4-[[2-[(2R)-2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile
SMILESCC(C)c1nc(N2CCN(c3ncc(OCc4ccncc4C#N)cn3)[C@H](C)C2)no1
InChIInChI=1S/C21H24N8O2/c1-14(2)19-26-21(27-31-19)28-6-7-29(15(3)12-28)20-24-10-18(11-25-20)30-13-16-4-5-23-9-17(16)8-22/h4-5,9-11,14-15H,6-7,12-13H2,1-3H3/t15-/m1/s1
InChIKeyUNGZTVLHLKAKQE-OAHLLOKOSA-N
XLogP2.54
TPSA117.09 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[[2-[(2R)-2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2R)-2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile?
The IUPAC name of 4-[[2-[(2R)-2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile (CID 51030711) is 4-[[2-[(2R)-2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[[2-[(2R)-2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[[2-[(2R)-2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile is CC(C)c1nc(N2CCN(c3ncc(OCc4ccncc4C#N)cn3)[C@H](C)C2)no1.
What is the InChIKey of 4-[[2-[(2R)-2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile?
The InChIKey is UNGZTVLHLKAKQE-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N8O2/c1-14(2)19-26-21(27-31-19)28-6-7-29(15(3)12-28)20-24-10-18(11-25-20)30-13-16-4-5-23-9-17(16)8-22/h4-5,9-11,14-15H,6-7,12-13H2,1-3H3/t15-/m1/s1.
What are the key properties of 4-[[2-[(2R)-2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile?
4-[[2-[(2R)-2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile has a molecular weight of 420.48 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2R)-2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile is sourced from PubChem (CID 51030711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).