N-(5-morpholin-4-yl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine

C21H18F3N7O2S — CID 153337879

IUPACN-(5-morpholin-4-yl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine
SMILESFC(F)(F)c1nc(-c2ccc(CN(c3ccc(N4CCOCC4)cn3)c3cnccn3)s2)no1
InChIInChI=1S/C21H18F3N7O2S/c22-21(23,24)20-28-19(29-33-20)16-3-2-15(34-16)13-31(18-12-25-5-6-26-18)17-4-1-14(11-27-17)30-7-9-32-10-8-30/h1-6,11-12H,7-10,13H2
InChIKeyVPTHXYXLKZHRTD-UHFFFAOYSA-N
MW489.48 g/mol
LogP4.18
Rot. Bonds6

About N-(5-morpholin-4-yl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine

N-(5-morpholin-4-yl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine (PubChem CID 153337879) has the molecular formula C21H18F3N7O2S and a molecular weight of 489.48 g/mol. Its IUPAC name is N-(5-morpholin-4-yl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(5-morpholin-4-yl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine
PubChem CID153337879
Molecular FormulaC21H18F3N7O2S
Molecular Weight489.48 g/mol
Exact Mass489.12
IUPAC NameN-(5-morpholin-4-yl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine
SMILESFC(F)(F)c1nc(-c2ccc(CN(c3ccc(N4CCOCC4)cn3)c3cnccn3)s2)no1
InChIInChI=1S/C21H18F3N7O2S/c22-21(23,24)20-28-19(29-33-20)16-3-2-15(34-16)13-31(18-12-25-5-6-26-18)17-4-1-14(11-27-17)30-7-9-32-10-8-30/h1-6,11-12H,7-10,13H2
InChIKeyVPTHXYXLKZHRTD-UHFFFAOYSA-N
XLogP4.18
TPSA93.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.48
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-yl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine?
The IUPAC name of N-(5-morpholin-4-yl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine (CID 153337879) is N-(5-morpholin-4-yl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for N-(5-morpholin-4-yl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine?
The canonical SMILES for N-(5-morpholin-4-yl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine is FC(F)(F)c1nc(-c2ccc(CN(c3ccc(N4CCOCC4)cn3)c3cnccn3)s2)no1.
What is the InChIKey of N-(5-morpholin-4-yl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine?
The InChIKey is VPTHXYXLKZHRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N7O2S/c22-21(23,24)20-28-19(29-33-20)16-3-2-15(34-16)13-31(18-12-25-5-6-26-18)17-4-1-14(11-27-17)30-7-9-32-10-8-30/h1-6,11-12H,7-10,13H2.
What are the key properties of N-(5-morpholin-4-yl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine?
N-(5-morpholin-4-yl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine has a molecular weight of 489.48 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-yl-2-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 153337879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).