4-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,3-dimethylbutyl]-8-(2,3-dimethylbutan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine

C25H45N5O — CID 129272808

IUPAC4-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,3-dimethylbutyl]-8-(2,3-dimethylbutan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
SMILESCC(C)C(C)(C)N1CCN2C(CC(C)C(C)(C)N3CCn4ccnc4C3)COCC2C1
InChIInChI=1S/C25H45N5O/c1-19(2)24(4,5)28-12-13-30-21(17-31-18-22(30)15-28)14-20(3)25(6,7)29-11-10-27-9-8-26-23(27)16-29/h8-9,19-22H,10-18H2,1-7H3
InChIKeyDAOZZWMHSCVKLU-UHFFFAOYSA-N
MW431.67 g/mol
LogP3.32
Rot. Bonds6

About 4-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,3-dimethylbutyl]-8-(2,3-dimethylbutan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine

4-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,3-dimethylbutyl]-8-(2,3-dimethylbutan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine (PubChem CID 129272808) has the molecular formula C25H45N5O and a molecular weight of 431.67 g/mol. Its IUPAC name is 4-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,3-dimethylbutyl]-8-(2,3-dimethylbutan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name4-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,3-dimethylbutyl]-8-(2,3-dimethylbutan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
PubChem CID129272808
Molecular FormulaC25H45N5O
Molecular Weight431.67 g/mol
Exact Mass431.36
IUPAC Name4-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,3-dimethylbutyl]-8-(2,3-dimethylbutan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
SMILESCC(C)C(C)(C)N1CCN2C(CC(C)C(C)(C)N3CCn4ccnc4C3)COCC2C1
InChIInChI=1S/C25H45N5O/c1-19(2)24(4,5)28-12-13-30-21(17-31-18-22(30)15-28)14-20(3)25(6,7)29-11-10-27-9-8-26-23(27)16-29/h8-9,19-22H,10-18H2,1-7H3
InChIKeyDAOZZWMHSCVKLU-UHFFFAOYSA-N
XLogP3.32
TPSA36.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.67
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,3-dimethylbutyl]-8-(2,3-dimethylbutan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,3-dimethylbutyl]-8-(2,3-dimethylbutan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The IUPAC name of 4-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,3-dimethylbutyl]-8-(2,3-dimethylbutan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine (CID 129272808) is 4-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,3-dimethylbutyl]-8-(2,3-dimethylbutan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine.
What is the SMILES notation for 4-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,3-dimethylbutyl]-8-(2,3-dimethylbutan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The canonical SMILES for 4-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,3-dimethylbutyl]-8-(2,3-dimethylbutan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine is CC(C)C(C)(C)N1CCN2C(CC(C)C(C)(C)N3CCn4ccnc4C3)COCC2C1.
What is the InChIKey of 4-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,3-dimethylbutyl]-8-(2,3-dimethylbutan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The InChIKey is DAOZZWMHSCVKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45N5O/c1-19(2)24(4,5)28-12-13-30-21(17-31-18-22(30)15-28)14-20(3)25(6,7)29-11-10-27-9-8-26-23(27)16-29/h8-9,19-22H,10-18H2,1-7H3.
What are the key properties of 4-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,3-dimethylbutyl]-8-(2,3-dimethylbutan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
4-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,3-dimethylbutyl]-8-(2,3-dimethylbutan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine has a molecular weight of 431.67 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,3-dimethylbutyl]-8-(2,3-dimethylbutan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine is sourced from PubChem (CID 129272808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).