N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methylsulfinyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine

C25H24N8O2S — CID 142373421

IUPACN-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methylsulfinyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine
SMILESCS(=O)N1CCN2c3ccc(Nc4nc(-c5ccc6cn[nH]c6c5)cn5ccnc45)cc3OCC2C1
InChIInChI=1S/C25H24N8O2S/c1-36(34)32-8-9-33-19(13-32)15-35-23-11-18(4-5-22(23)33)28-24-25-26-6-7-31(25)14-21(29-24)16-2-3-17-12-27-30-20(17)10-16/h2-7,10-12,14,19H,8-9,13,15H2,1H3,(H,27,30)(H,28,29)
InChIKeyORYGWMBKPNNXIT-UHFFFAOYSA-N
MW500.59 g/mol
LogP3.19
Rot. Bonds4

About N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methylsulfinyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine

N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methylsulfinyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine (PubChem CID 142373421) has the molecular formula C25H24N8O2S and a molecular weight of 500.59 g/mol. Its IUPAC name is N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methylsulfinyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine.

Molecular Properties

Compound NameN-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methylsulfinyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine
PubChem CID142373421
Molecular FormulaC25H24N8O2S
Molecular Weight500.59 g/mol
Exact Mass500.17
IUPAC NameN-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methylsulfinyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine
SMILESCS(=O)N1CCN2c3ccc(Nc4nc(-c5ccc6cn[nH]c6c5)cn5ccnc45)cc3OCC2C1
InChIInChI=1S/C25H24N8O2S/c1-36(34)32-8-9-33-19(13-32)15-35-23-11-18(4-5-22(23)33)28-24-25-26-6-7-31(25)14-21(29-24)16-2-3-17-12-27-30-20(17)10-16/h2-7,10-12,14,19H,8-9,13,15H2,1H3,(H,27,30)(H,28,29)
InChIKeyORYGWMBKPNNXIT-UHFFFAOYSA-N
XLogP3.19
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.59
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methylsulfinyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methylsulfinyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine?
The IUPAC name of N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methylsulfinyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine (CID 142373421) is N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methylsulfinyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine.
What is the SMILES notation for N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methylsulfinyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine?
The canonical SMILES for N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methylsulfinyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine is CS(=O)N1CCN2c3ccc(Nc4nc(-c5ccc6cn[nH]c6c5)cn5ccnc45)cc3OCC2C1.
What is the InChIKey of N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methylsulfinyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine?
The InChIKey is ORYGWMBKPNNXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O2S/c1-36(34)32-8-9-33-19(13-32)15-35-23-11-18(4-5-22(23)33)28-24-25-26-6-7-31(25)14-21(29-24)16-2-3-17-12-27-30-20(17)10-16/h2-7,10-12,14,19H,8-9,13,15H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methylsulfinyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine?
N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methylsulfinyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine has a molecular weight of 500.59 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methylsulfinyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine is sourced from PubChem (CID 142373421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).