2-[(Z)-1-amino-2-[7-amino-2-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol

C22H32N6O — CID 163294371

IUPAC2-[(Z)-1-amino-2-[7-amino-2-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol
SMILESNC1=C(/C=C(\N)c2ccccc2O)N2CCN(C3CC4CCC(C3)N4)CC2CN1
InChIInChI=1S/C22H32N6O/c23-19(18-3-1-2-4-21(18)29)11-20-22(24)25-12-17-13-27(7-8-28(17)20)16-9-14-5-6-15(10-16)26-14/h1-4,11,14-17,25-26,29H,5-10,12-13,23-24H2/b19-11-
InChIKeySUEKSGBAVLFJPS-ODLFYWEKSA-N
MW396.54 g/mol
LogP0.69
Rot. Bonds3

About 2-[(Z)-1-amino-2-[7-amino-2-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol

2-[(Z)-1-amino-2-[7-amino-2-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol (PubChem CID 163294371) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-[(Z)-1-amino-2-[7-amino-2-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol.

Molecular Properties

Compound Name2-[(Z)-1-amino-2-[7-amino-2-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol
PubChem CID163294371
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC Name2-[(Z)-1-amino-2-[7-amino-2-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol
SMILESNC1=C(/C=C(\N)c2ccccc2O)N2CCN(C3CC4CCC(C3)N4)CC2CN1
InChIInChI=1S/C22H32N6O/c23-19(18-3-1-2-4-21(18)29)11-20-22(24)25-12-17-13-27(7-8-28(17)20)16-9-14-5-6-15(10-16)26-14/h1-4,11,14-17,25-26,29H,5-10,12-13,23-24H2/b19-11-
InChIKeySUEKSGBAVLFJPS-ODLFYWEKSA-N
XLogP0.69
TPSA102.81 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 50.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-[(Z)-1-amino-2-[7-amino-2-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol 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-[(Z)-1-amino-2-[7-amino-2-(2-aminoethyl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol
CID 166888826
tert-butyl 4-[3-[7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]azetidin-1-yl]piperidine-1-carboxylate
CID 167063481
[7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-(1-methylpiperidin-4-yl)methanone
CID 163294489
7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-N-methyl-N-piperidin-4-yl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 163294074
tert-butyl 2-[7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 163294327
2-[(Z)-1-amino-2-(7-amino-2-methyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]phenol;2-(2,6-dioxopiperidin-3-yl)-5-(3-fluoropiperidin-1-yl)isoindole-1,3-dione;3-methyl-3-azabicyclo[3.1.0]hexane
CID 163294086
2-[(Z)-1-amino-2-(7-amino-2-methyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]phenol;5-[3-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-methylpiperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163294395
4-[6-[3-[4-[2-[7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]ethyl]piperazin-1-yl]propyl]pyrido[2,3-b]indol-9-yl]-N-formylpentanamide
CID 163294222
2-[(Z)-1-amino-2-(7-amino-2-methyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl)ethenyl]phenol;2-[6-[2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)morpholin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 163294631
2-[5-[4-[[4-[7-amino-6-[(Z)-2-amino-2-(2-hydroxyphenyl)ethenyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carbonyl]piperazin-1-yl]methyl]-3,3-difluoropiperidin-1-yl]-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide
CID 163294083
2-[(10S)-12-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-4-yl]phenol
CID 167284571
2-[(Z)-1-amino-2-(2-amino-4-methyl-5-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenol
CID 166459136

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-amino-2-[7-amino-2-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol?
The IUPAC name of 2-[(Z)-1-amino-2-[7-amino-2-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol (CID 163294371) is 2-[(Z)-1-amino-2-[7-amino-2-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol.
What is the SMILES notation for 2-[(Z)-1-amino-2-[7-amino-2-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol?
The canonical SMILES for 2-[(Z)-1-amino-2-[7-amino-2-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol is NC1=C(/C=C(\N)c2ccccc2O)N2CCN(C3CC4CCC(C3)N4)CC2CN1.
What is the InChIKey of 2-[(Z)-1-amino-2-[7-amino-2-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol?
The InChIKey is SUEKSGBAVLFJPS-ODLFYWEKSA-N. The full InChI is InChI=1S/C22H32N6O/c23-19(18-3-1-2-4-21(18)29)11-20-22(24)25-12-17-13-27(7-8-28(17)20)16-9-14-5-6-15(10-16)26-14/h1-4,11,14-17,25-26,29H,5-10,12-13,23-24H2/b19-11-.
What are the key properties of 2-[(Z)-1-amino-2-[7-amino-2-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol?
2-[(Z)-1-amino-2-[7-amino-2-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol has a molecular weight of 396.54 g/mol, XLogP of 0.69, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-amino-2-[7-amino-2-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-6-yl]ethenyl]phenol is sourced from PubChem (CID 163294371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).