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

C20H22N8O2 — CID 51030710

IUPAC4-[[2-[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)CC2)no1
InChIInChI=1S/C20H22N8O2/c1-14(2)18-25-20(26-30-18)28-7-5-27(6-8-28)19-23-11-17(12-24-19)29-13-15-3-4-22-10-16(15)9-21/h3-4,10-12,14H,5-8,13H2,1-2H3
InChIKeyTVBGGIHNBOONNF-UHFFFAOYSA-N
MW406.45 g/mol
LogP2.16
Rot. Bonds6

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

4-[[2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile (PubChem CID 51030710) has the molecular formula C20H22N8O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 4-[[2-[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-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile
PubChem CID51030710
Molecular FormulaC20H22N8O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name4-[[2-[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)CC2)no1
InChIInChI=1S/C20H22N8O2/c1-14(2)18-25-20(26-30-18)28-7-5-27(6-8-28)19-23-11-17(12-24-19)29-13-15-3-4-22-10-16(15)9-21/h3-4,10-12,14H,5-8,13H2,1-2H3
InChIKeyTVBGGIHNBOONNF-UHFFFAOYSA-N
XLogP2.16
TPSA117.09 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[[2-[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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Launch Full Analysis

Related Compounds

tert-butyl (3R)-4-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]-3-methylpiperazine-1-carboxylate
CID 51030054
Tert-butyl 3-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 73350444
Tert-butyl 4-[5-(pyridin-4-ylmethoxy)pyrimidin-2-yl]piperazine-1-carboxylate
CID 51029603
Tert-butyl 4-{5-[(3-cyanopyridin-4-yl)methoxy]pyrimidin-2-yl}piperazine-1-carboxylate
CID 51030053
4-[[2-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile
CID 51030056
propan-2-yl (3R)-4-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]-3-methylpiperazine-1-carboxylate
CID 51030336
2-cyanopropan-2-yl (3R)-4-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]-3-methylpiperazine-1-carboxylate
CID 51030529
(R)-4-((2-(4-(5-isopropyl-1,2,4-oxadiazol-3-yl)-2-methylpiperazin-1-yl)pyrimidin-5-yloxy)methyl)nicotinonitrile
CID 51030711
Tert-butyl 4-{5-[(3-methylpyridin-4-yl)methoxy]pyrimidin-2-yl}piperazine-1-carboxylate
CID 51030811
4-((2-(4-(5-(Difluoromethyl)-1,2,4-oxadiazol-3-yl)-2-methylpiperazin-1-yl) pyrimidin-5-yloxy)methyl)nicotinonitrile
CID 51030896
(R)-4-((2-(2-methyl-4-(3-(trifluoro-methyl)-1,2,4-oxadiazol-5-yl)piperazin-1-yl)pyrimidin-5-yloxy)methyl)nicotinonitrile
CID 51030897
(R)-4-((2-(4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-2-methylpiperazin-1-yl)pyrimidin-5-yloxy)methyl)nicotinonitrile
CID 51030898

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[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-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile (CID 51030710) is 4-[[2-[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-[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-[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)CC2)no1.
What is the InChIKey of 4-[[2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile?
The InChIKey is TVBGGIHNBOONNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O2/c1-14(2)18-25-20(26-30-18)28-7-5-27(6-8-28)19-23-11-17(12-24-19)29-13-15-3-4-22-10-16(15)9-21/h3-4,10-12,14H,5-8,13H2,1-2H3.
What are the key properties of 4-[[2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile?
4-[[2-[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 406.45 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[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 51030710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).