7-[5-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1,2-xylene

C28H31N7O2 — CID 145171960

IUPAC7-[5-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1,2-xylene
SMILESCc1ccccc1C.O=C1NCC2CN(c3ncc(-c4ccc5nc6n(c5c4)CCOC6)cn3)CCN12
InChIInChI=1S/C20H21N7O2.C8H10/c28-20-23-10-15-11-25(3-4-26(15)20)19-21-8-14(9-22-19)13-1-2-16-17(7-13)27-5-6-29-12-18(27)24-16;1-7-5-3-4-6-8(7)2/h1-2,7-9,15H,3-6,10-12H2,(H,23,28);3-6H,1-2H3
InChIKeyBFFROUJTOXACTG-UHFFFAOYSA-N
MW497.60 g/mol
LogP3.54
Rot. Bonds2

About 7-[5-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1,2-xylene

7-[5-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1,2-xylene (PubChem CID 145171960) has the molecular formula C28H31N7O2 and a molecular weight of 497.60 g/mol. Its IUPAC name is 7-[5-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1,2-xylene.

Molecular Properties

Compound Name7-[5-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1,2-xylene
PubChem CID145171960
Molecular FormulaC28H31N7O2
Molecular Weight497.60 g/mol
Exact Mass497.25
IUPAC Name7-[5-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1,2-xylene
SMILESCc1ccccc1C.O=C1NCC2CN(c3ncc(-c4ccc5nc6n(c5c4)CCOC6)cn3)CCN12
InChIInChI=1S/C20H21N7O2.C8H10/c28-20-23-10-15-11-25(3-4-26(15)20)19-21-8-14(9-22-19)13-1-2-16-17(7-13)27-5-6-29-12-18(27)24-16;1-7-5-3-4-6-8(7)2/h1-2,7-9,15H,3-6,10-12H2,(H,23,28);3-6H,1-2H3
InChIKeyBFFROUJTOXACTG-UHFFFAOYSA-N
XLogP3.54
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[5-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1,2-xylene with MolForge

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Related Compounds

3-[4-[5-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)pyrimidin-2-yl]piperazin-1-yl]propan-1-ol
CID 135173221
(8aS)-7-[5-[(3S)-3-methyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 135173387
7-[5-(3-methyl-3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 122622684
(4S)-7-(2-morpholin-4-ylpyrimidin-5-yl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole
CID 122621753
7-[5-[2-methyl-1-[[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 122620793
(4S)-7-[2-(2-methylmorpholin-4-yl)pyrimidin-5-yl]-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole
CID 122622459
(1R)-8-[2-[(8aR)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one
CID 122617121
(1R,9bR)-8-[2-[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-1-[2-(difluoromethoxy)phenyl]-1,2,3,9b-tetrahydropyrrolo[1,2-b]isoindol-5-one
CID 122617164
7-[5-[2-methyl-1-[[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 122620257
(8aR)-7-[5-[1-[[3-(difluoromethoxy)-6-(hydroxymethyl)-2-pyridinyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 122621096
3-[[6-[2-[(8aR)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]pyrimidin-5-yl]-2,2-dimethyl-3-oxoindol-1-yl]methyl]pyridine-2-carbonitrile
CID 162673748
2-(5-methylpyrimidin-2-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione
CID 133404031

Frequently Asked Questions

What is the IUPAC name of 7-[5-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1,2-xylene?
The IUPAC name of 7-[5-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1,2-xylene (CID 145171960) is 7-[5-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1,2-xylene.
What is the SMILES notation for 7-[5-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1,2-xylene?
The canonical SMILES for 7-[5-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1,2-xylene is Cc1ccccc1C.O=C1NCC2CN(c3ncc(-c4ccc5nc6n(c5c4)CCOC6)cn3)CCN12.
What is the InChIKey of 7-[5-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1,2-xylene?
The InChIKey is BFFROUJTOXACTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2.C8H10/c28-20-23-10-15-11-25(3-4-26(15)20)19-21-8-14(9-22-19)13-1-2-16-17(7-13)27-5-6-29-12-18(27)24-16;1-7-5-3-4-6-8(7)2/h1-2,7-9,15H,3-6,10-12H2,(H,23,28);3-6H,1-2H3.
What are the key properties of 7-[5-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1,2-xylene?
7-[5-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1,2-xylene has a molecular weight of 497.60 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1,2-xylene is sourced from PubChem (CID 145171960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).