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

C20H25N7O2 — CID 45222743

IUPAC6-N-cyclopentyl-5-N-(oxolan-2-ylmethyl)-5-N-(pyridin-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESc1ccc(CN(CC2CCCO2)c2nc3nonc3nc2NC2CCCC2)nc1
InChIInChI=1S/C20H25N7O2/c1-2-7-14(6-1)22-19-20(24-18-17(23-19)25-29-26-18)27(13-16-9-5-11-28-16)12-15-8-3-4-10-21-15/h3-4,8,10,14,16H,1-2,5-7,9,11-13H2,(H,22,23,25)
InChIKeyYRAYTZVUMNDFDQ-UHFFFAOYSA-N
MW395.47 g/mol
LogP2.95
Rot. Bonds7

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

6-N-cyclopentyl-5-N-(oxolan-2-ylmethyl)-5-N-(pyridin-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 45222743) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 6-N-cyclopentyl-5-N-(oxolan-2-ylmethyl)-5-N-(pyridin-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-cyclopentyl-5-N-(oxolan-2-ylmethyl)-5-N-(pyridin-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID45222743
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name6-N-cyclopentyl-5-N-(oxolan-2-ylmethyl)-5-N-(pyridin-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESc1ccc(CN(CC2CCCO2)c2nc3nonc3nc2NC2CCCC2)nc1
InChIInChI=1S/C20H25N7O2/c1-2-7-14(6-1)22-19-20(24-18-17(23-19)25-29-26-18)27(13-16-9-5-11-28-16)12-15-8-3-4-10-21-15/h3-4,8,10,14,16H,1-2,5-7,9,11-13H2,(H,22,23,25)
InChIKeyYRAYTZVUMNDFDQ-UHFFFAOYSA-N
XLogP2.95
TPSA102.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

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
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
N-methyl-3-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 46983238
2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 47000481
1-N-cyclopentyl-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide
CID 1176424
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
N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 95200553
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 42522163
1-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 42099205
3-(1,2-oxazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 119066058
3-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)thiourea
CID 5046836

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopentyl-5-N-(oxolan-2-ylmethyl)-5-N-(pyridin-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 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) is 6-N-cyclopentyl-5-N-(oxolan-2-ylmethyl)-5-N-(pyridin-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-cyclopentyl-5-N-(oxolan-2-ylmethyl)-5-N-(pyridin-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-cyclopentyl-5-N-(oxolan-2-ylmethyl)-5-N-(pyridin-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is c1ccc(CN(CC2CCCO2)c2nc3nonc3nc2NC2CCCC2)nc1.
What is the InChIKey of 6-N-cyclopentyl-5-N-(oxolan-2-ylmethyl)-5-N-(pyridin-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is YRAYTZVUMNDFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-2-7-14(6-1)22-19-20(24-18-17(23-19)25-29-26-18)27(13-16-9-5-11-28-16)12-15-8-3-4-10-21-15/h3-4,8,10,14,16H,1-2,5-7,9,11-13H2,(H,22,23,25).
What are the key properties of 6-N-cyclopentyl-5-N-(oxolan-2-ylmethyl)-5-N-(pyridin-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-cyclopentyl-5-N-(oxolan-2-ylmethyl)-5-N-(pyridin-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 395.47 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopentyl-5-N-(oxolan-2-ylmethyl)-5-N-(pyridin-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 45222743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).