5-N-[[(2R)-oxolan-2-yl]methyl]-5-N-(pyridin-2-ylmethyl)-6-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C20H21N7O2S — CID 42530997

IUPAC5-N-[[(2R)-oxolan-2-yl]methyl]-5-N-(pyridin-2-ylmethyl)-6-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESc1ccc(CN(C[C@H]2CCCO2)c2nc3nonc3nc2NCc2cccs2)nc1
InChIInChI=1S/C20H21N7O2S/c1-2-8-21-14(5-1)12-27(13-15-6-3-9-28-15)20-19(22-11-16-7-4-10-30-16)23-17-18(24-20)26-29-25-17/h1-2,4-5,7-8,10,15H,3,6,9,11-13H2,(H,22,23,25)/t15-/m1/s1
InChIKeyQGZGTSJFEPMHSR-OAHLLOKOSA-N
MW423.50 g/mol
LogP3.27
Rot. Bonds8

About 5-N-[[(2R)-oxolan-2-yl]methyl]-5-N-(pyridin-2-ylmethyl)-6-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

5-N-[[(2R)-oxolan-2-yl]methyl]-5-N-(pyridin-2-ylmethyl)-6-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 42530997) has the molecular formula C20H21N7O2S and a molecular weight of 423.50 g/mol. Its IUPAC name is 5-N-[[(2R)-oxolan-2-yl]methyl]-5-N-(pyridin-2-ylmethyl)-6-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-[[(2R)-oxolan-2-yl]methyl]-5-N-(pyridin-2-ylmethyl)-6-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID42530997
Molecular FormulaC20H21N7O2S
Molecular Weight423.50 g/mol
Exact Mass423.15
IUPAC Name5-N-[[(2R)-oxolan-2-yl]methyl]-5-N-(pyridin-2-ylmethyl)-6-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESc1ccc(CN(C[C@H]2CCCO2)c2nc3nonc3nc2NCc2cccs2)nc1
InChIInChI=1S/C20H21N7O2S/c1-2-8-21-14(5-1)12-27(13-15-6-3-9-28-15)20-19(22-11-16-7-4-10-30-16)23-17-18(24-20)26-29-25-17/h1-2,4-5,7-8,10,15H,3,6,9,11-13H2,(H,22,23,25)/t15-/m1/s1
InChIKeyQGZGTSJFEPMHSR-OAHLLOKOSA-N
XLogP3.27
TPSA102.09 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-N-[[(2R)-oxolan-2-yl]methyl]-5-N-(pyridin-2-ylmethyl)-6-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine with MolForge

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Related Compounds

6-N-cyclopentyl-5-N-(oxolan-2-ylmethyl)-5-N-(pyridin-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 45222743
N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 97231150
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338392
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
4-methoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 133369141
3-(1,2-oxazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 119066058
1-[(2S)-oxolan-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine
CID 39973516
N-methyl-3-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 46983238
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 45206907
6-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 110219427
1-[(2S)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)-N-(thiophen-2-ylmethyl)methanamine
CID 95904603
3-bromo-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 133365584

Frequently Asked Questions

What is the IUPAC name of 5-N-[[(2R)-oxolan-2-yl]methyl]-5-N-(pyridin-2-ylmethyl)-6-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-[[(2R)-oxolan-2-yl]methyl]-5-N-(pyridin-2-ylmethyl)-6-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 42530997) is 5-N-[[(2R)-oxolan-2-yl]methyl]-5-N-(pyridin-2-ylmethyl)-6-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N-[[(2R)-oxolan-2-yl]methyl]-5-N-(pyridin-2-ylmethyl)-6-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-[[(2R)-oxolan-2-yl]methyl]-5-N-(pyridin-2-ylmethyl)-6-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is c1ccc(CN(C[C@H]2CCCO2)c2nc3nonc3nc2NCc2cccs2)nc1.
What is the InChIKey of 5-N-[[(2R)-oxolan-2-yl]methyl]-5-N-(pyridin-2-ylmethyl)-6-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is QGZGTSJFEPMHSR-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21N7O2S/c1-2-8-21-14(5-1)12-27(13-15-6-3-9-28-15)20-19(22-11-16-7-4-10-30-16)23-17-18(24-20)26-29-25-17/h1-2,4-5,7-8,10,15H,3,6,9,11-13H2,(H,22,23,25)/t15-/m1/s1.
What are the key properties of 5-N-[[(2R)-oxolan-2-yl]methyl]-5-N-(pyridin-2-ylmethyl)-6-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-[[(2R)-oxolan-2-yl]methyl]-5-N-(pyridin-2-ylmethyl)-6-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 423.50 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[[(2R)-oxolan-2-yl]methyl]-5-N-(pyridin-2-ylmethyl)-6-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 42530997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).