7-(2,3,3-trimethylbutan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;(5R)-8-(2,3,3-trimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane

C26H48N4O — CID 161291744

IUPAC7-(2,3,3-trimethylbutan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;(5R)-8-(2,3,3-trimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCC(C)(C)C(C)(C)N1C2CC[C@@H]1COC2.CC(C)(C)C(C)(C)N1CCn2ccnc2C1
InChIInChI=1S/C13H23N3.C13H25NO/c1-12(2,3)13(4,5)16-9-8-15-7-6-14-11(15)10-16;1-12(2,3)13(4,5)14-10-6-7-11(14)9-15-8-10/h6-7H,8-10H2,1-5H3;10-11H,6-9H2,1-5H3/t;10-,11?/m.1/s1
InChIKeyVGLBMXLBFBCENX-QWHABDPLSA-N
MW432.70 g/mol
LogP5.20
Rot. Bonds2

About 7-(2,3,3-trimethylbutan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;(5R)-8-(2,3,3-trimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane

7-(2,3,3-trimethylbutan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;(5R)-8-(2,3,3-trimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 161291744) has the molecular formula C26H48N4O and a molecular weight of 432.70 g/mol. Its IUPAC name is 7-(2,3,3-trimethylbutan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;(5R)-8-(2,3,3-trimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name7-(2,3,3-trimethylbutan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;(5R)-8-(2,3,3-trimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID161291744
Molecular FormulaC26H48N4O
Molecular Weight432.70 g/mol
Exact Mass432.38
IUPAC Name7-(2,3,3-trimethylbutan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;(5R)-8-(2,3,3-trimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCC(C)(C)C(C)(C)N1C2CC[C@@H]1COC2.CC(C)(C)C(C)(C)N1CCn2ccnc2C1
InChIInChI=1S/C13H23N3.C13H25NO/c1-12(2,3)13(4,5)16-9-8-15-7-6-14-11(15)10-16;1-12(2,3)13(4,5)14-10-6-7-11(14)9-15-8-10/h6-7H,8-10H2,1-5H3;10-11H,6-9H2,1-5H3/t;10-,11?/m.1/s1
InChIKeyVGLBMXLBFBCENX-QWHABDPLSA-N
XLogP5.20
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.70
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(2,3,3-trimethylbutan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;(5R)-8-(2,3,3-trimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-Methylimidazol-2-yl)methyl]-9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 118746912
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
(3aS,7R,7aR)-N,N-diethyl-2-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-amine
CID 97461294
(3aR,7S,7aS)-2-[(1-methylimidazol-2-yl)methyl]-7-morpholin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
CID 97461302
(3aR,7S,7aS)-N,N-diethyl-2-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-amine
CID 124821972
(3R,3aS,7aS)-5-[(1-methylimidazol-2-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
CID 125192724
(3aS,7R,7aR)-2-[(1-methylimidazol-2-yl)methyl]-7-morpholin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
CID 133144175
4-[2-[1-[(8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]imidazol-2-yl]-2-methylpropyl]morpholine
CID 138381689

Frequently Asked Questions

What is the IUPAC name of 7-(2,3,3-trimethylbutan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;(5R)-8-(2,3,3-trimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 7-(2,3,3-trimethylbutan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;(5R)-8-(2,3,3-trimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane (CID 161291744) is 7-(2,3,3-trimethylbutan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;(5R)-8-(2,3,3-trimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 7-(2,3,3-trimethylbutan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;(5R)-8-(2,3,3-trimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 7-(2,3,3-trimethylbutan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;(5R)-8-(2,3,3-trimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane is CC(C)(C)C(C)(C)N1C2CC[C@@H]1COC2.CC(C)(C)C(C)(C)N1CCn2ccnc2C1.
What is the InChIKey of 7-(2,3,3-trimethylbutan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;(5R)-8-(2,3,3-trimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is VGLBMXLBFBCENX-QWHABDPLSA-N. The full InChI is InChI=1S/C13H23N3.C13H25NO/c1-12(2,3)13(4,5)16-9-8-15-7-6-14-11(15)10-16;1-12(2,3)13(4,5)14-10-6-7-11(14)9-15-8-10/h6-7H,8-10H2,1-5H3;10-11H,6-9H2,1-5H3/t;10-,11?/m.1/s1.
What are the key properties of 7-(2,3,3-trimethylbutan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;(5R)-8-(2,3,3-trimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
7-(2,3,3-trimethylbutan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;(5R)-8-(2,3,3-trimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 432.70 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3,3-trimethylbutan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;(5R)-8-(2,3,3-trimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 161291744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).