N-[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazin-8-amine

C24H23N7O3 — CID 72695864

IUPACN-[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazin-8-amine
SMILESc1cn2cc(-c3cnc4c(c3)NCCO4)nc(Nc3ccc4c(c3)OCC3COCCN43)c2n1
InChIInChI=1S/C24H23N7O3/c1-2-20-21(34-14-17-13-32-8-6-31(17)20)10-16(1)28-22-23-26-3-5-30(23)12-19(29-22)15-9-18-24(27-11-15)33-7-4-25-18/h1-3,5,9-12,17,25H,4,6-8,13-14H2,(H,28,29)
InChIKeyGQTDYWFPXGEOJC-UHFFFAOYSA-N
MW457.49 g/mol
LogP2.94
Rot. Bonds3

About N-[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazin-8-amine

N-[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazin-8-amine (PubChem CID 72695864) has the molecular formula C24H23N7O3 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazin-8-amine.

Molecular Properties

Compound NameN-[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazin-8-amine
PubChem CID72695864
Molecular FormulaC24H23N7O3
Molecular Weight457.49 g/mol
Exact Mass457.19
IUPAC NameN-[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazin-8-amine
SMILESc1cn2cc(-c3cnc4c(c3)NCCO4)nc(Nc3ccc4c(c3)OCC3COCCN43)c2n1
InChIInChI=1S/C24H23N7O3/c1-2-20-21(34-14-17-13-32-8-6-31(17)20)10-16(1)28-22-23-26-3-5-30(23)12-19(29-22)15-9-18-24(27-11-15)33-7-4-25-18/h1-3,5,9-12,17,25H,4,6-8,13-14H2,(H,28,29)
InChIKeyGQTDYWFPXGEOJC-UHFFFAOYSA-N
XLogP2.94
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazin-8-amine?
The IUPAC name of N-[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazin-8-amine (CID 72695864) is N-[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazin-8-amine.
What is the SMILES notation for N-[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazin-8-amine?
The canonical SMILES for N-[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazin-8-amine is c1cn2cc(-c3cnc4c(c3)NCCO4)nc(Nc3ccc4c(c3)OCC3COCCN43)c2n1.
What is the InChIKey of N-[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazin-8-amine?
The InChIKey is GQTDYWFPXGEOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3/c1-2-20-21(34-14-17-13-32-8-6-31(17)20)10-16(1)28-22-23-26-3-5-30(23)12-19(29-22)15-9-18-24(27-11-15)33-7-4-25-18/h1-3,5,9-12,17,25H,4,6-8,13-14H2,(H,28,29).
What are the key properties of N-[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazin-8-amine?
N-[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazin-8-amine has a molecular weight of 457.49 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazin-8-amine is sourced from PubChem (CID 72695864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).