6-[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C19H23N7O — CID 154823997

IUPAC6-[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(N)nc(N3CCN4[C@@H](COC[C@@H]4c4ccccc4)C3)nc21
InChIInChI=1S/C19H23N7O/c1-24-18-15(9-21-24)17(20)22-19(23-18)25-7-8-26-14(10-25)11-27-12-16(26)13-5-3-2-4-6-13/h2-6,9,14,16H,7-8,10-12H2,1H3,(H2,20,22,23)/t14-,16-/m1/s1
InChIKeyUKMJWCOKKJZVIE-GDBMZVCRSA-N
MW365.44 g/mol
LogP1.21
Rot. Bonds2

About 6-[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 154823997) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 6-[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID154823997
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name6-[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(N)nc(N3CCN4[C@@H](COC[C@@H]4c4ccccc4)C3)nc21
InChIInChI=1S/C19H23N7O/c1-24-18-15(9-21-24)17(20)22-19(23-18)25-7-8-26-14(10-25)11-27-12-16(26)13-5-3-2-4-6-13/h2-6,9,14,16H,7-8,10-12H2,1H3,(H2,20,22,23)/t14-,16-/m1/s1
InChIKeyUKMJWCOKKJZVIE-GDBMZVCRSA-N
XLogP1.21
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

(4S,9aR)-8-methylsulfonyl-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 134702071
6-[(1R,5S)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 134704668
1-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 136534570
(3S,4S)-1-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-3-(hydroxymethyl)piperidin-4-ol;formic acid
CID 155972085
(4S,9aR)-8-[(5-methyl-1H-imidazol-2-yl)methyl]-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;dihydrochloride
CID 163334483
[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-cyclopent-3-en-1-ylmethanone
CID 155493269
N-benzyl-1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 8547141
(4S,9aR)-8-[(5-ethylthiophen-2-yl)methyl]-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 134713607
(1S,5R)-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
CID 165425162
[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(2-methyl-3-pyridinyl)methanone
CID 134704949
[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 155505083
(2R,6S)-2,6-dimethyl-4-[1-methyl-6-(3-methylpyrrolidin-1-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 166397967

Frequently Asked Questions

What is the IUPAC name of 6-[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 154823997) is 6-[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(N)nc(N3CCN4[C@@H](COC[C@@H]4c4ccccc4)C3)nc21.
What is the InChIKey of 6-[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UKMJWCOKKJZVIE-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H23N7O/c1-24-18-15(9-21-24)17(20)22-19(23-18)25-7-8-26-14(10-25)11-27-12-16(26)13-5-3-2-4-6-13/h2-6,9,14,16H,7-8,10-12H2,1H3,(H2,20,22,23)/t14-,16-/m1/s1.
What are the key properties of 6-[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 365.44 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 154823997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).