4-[[2-[(2R)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile

C19H18F2N8O2 — CID 51030896

IUPAC4-[[2-[(2R)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile
SMILESC[C@@H]1CN(c2noc(C(F)F)n2)CCN1c1ncc(OCc2ccncc2C#N)cn1
InChIInChI=1S/C19H18F2N8O2/c1-12-10-28(19-26-17(16(20)21)31-27-19)4-5-29(12)18-24-8-15(9-25-18)30-11-13-2-3-23-7-14(13)6-22/h2-3,7-9,12,16H,4-5,10-11H2,1H3/t12-/m1/s1
InChIKeyXBLVKULFUQTLPO-GFCCVEGCSA-N
MW428.40 g/mol
LogP2.36
Rot. Bonds6

About 4-[[2-[(2R)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile

4-[[2-[(2R)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile (PubChem CID 51030896) has the molecular formula C19H18F2N8O2 and a molecular weight of 428.40 g/mol. Its IUPAC name is 4-[[2-[(2R)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[[2-[(2R)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile
PubChem CID51030896
Molecular FormulaC19H18F2N8O2
Molecular Weight428.40 g/mol
Exact Mass428.15
IUPAC Name4-[[2-[(2R)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile
SMILESC[C@@H]1CN(c2noc(C(F)F)n2)CCN1c1ncc(OCc2ccncc2C#N)cn1
InChIInChI=1S/C19H18F2N8O2/c1-12-10-28(19-26-17(16(20)21)31-27-19)4-5-29(12)18-24-8-15(9-25-18)30-11-13-2-3-23-7-14(13)6-22/h2-3,7-9,12,16H,4-5,10-11H2,1H3/t12-/m1/s1
InChIKeyXBLVKULFUQTLPO-GFCCVEGCSA-N
XLogP2.36
TPSA117.09 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[[2-[(2R)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-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-[(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
4-((2-(4-(5-Isopropyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl)pyrimidin-5-yloxy)methyl)nicotinonitrile
CID 51030710
(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
(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
(R)-4-((2-(2-methyl-4-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)piperazin-1-yl)pyrimidin-5-yloxy)methyl)nicotinonitrile
CID 51030901

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2R)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile?
The IUPAC name of 4-[[2-[(2R)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile (CID 51030896) is 4-[[2-[(2R)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[[2-[(2R)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[[2-[(2R)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile is C[C@@H]1CN(c2noc(C(F)F)n2)CCN1c1ncc(OCc2ccncc2C#N)cn1.
What is the InChIKey of 4-[[2-[(2R)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile?
The InChIKey is XBLVKULFUQTLPO-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18F2N8O2/c1-12-10-28(19-26-17(16(20)21)31-27-19)4-5-29(12)18-24-8-15(9-25-18)30-11-13-2-3-23-7-14(13)6-22/h2-3,7-9,12,16H,4-5,10-11H2,1H3/t12-/m1/s1.
What are the key properties of 4-[[2-[(2R)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile?
4-[[2-[(2R)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile has a molecular weight of 428.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2R)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile is sourced from PubChem (CID 51030896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).