4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]phenyl]morpholine

C24H24ClF2N5O — CID 70673155

IUPAC4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]phenyl]morpholine
SMILESCC(c1c(F)ccc(F)c1Cl)N1CCNc2ncc(-c3cccc(N4CCOCC4)c3)nc21
InChIInChI=1S/C24H24ClF2N5O/c1-15(21-18(26)5-6-19(27)22(21)25)32-8-7-28-23-24(32)30-20(14-29-23)16-3-2-4-17(13-16)31-9-11-33-12-10-31/h2-6,13-15H,7-12H2,1H3,(H,28,29)
InChIKeyRTKHQYNNOBHOFD-UHFFFAOYSA-N
MW471.94 g/mol
LogP4.90
Rot. Bonds4

About 4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]phenyl]morpholine

4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]phenyl]morpholine (PubChem CID 70673155) has the molecular formula C24H24ClF2N5O and a molecular weight of 471.94 g/mol. Its IUPAC name is 4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]phenyl]morpholine
PubChem CID70673155
Molecular FormulaC24H24ClF2N5O
Molecular Weight471.94 g/mol
Exact Mass471.16
IUPAC Name4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]phenyl]morpholine
SMILESCC(c1c(F)ccc(F)c1Cl)N1CCNc2ncc(-c3cccc(N4CCOCC4)c3)nc21
InChIInChI=1S/C24H24ClF2N5O/c1-15(21-18(26)5-6-19(27)22(21)25)32-8-7-28-23-24(32)30-20(14-29-23)16-3-2-4-17(13-16)31-9-11-33-12-10-31/h2-6,13-15H,7-12H2,1H3,(H,28,29)
InChIKeyRTKHQYNNOBHOFD-UHFFFAOYSA-N
XLogP4.90
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.94
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3,6-difluoro-2-[1-(3-methyl-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-5-yl)ethyl]phenol;4-(4-methylphenyl)morpholine
CID 143994152
3,6-difluoro-2-[[3-(3-morpholin-4-ylphenyl)-6,7,8,9-tetrahydropyrazino[2,3-b][1,4]diazepin-5-yl]methyl]phenol
CID 135229922
8-[1-(2-chloro-3,6-difluorophenyl)ethyl]-5,5-dimethyl-2-[3-(4-methylpiperazin-1-yl)phenyl]sulfanyl-6,7-dihydropyrazino[2,3-b]pyrazin-5-ium
CID 163462272
4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]morpholine;5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-3-(4-piperazin-1-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine
CID 161076529
N,5-difluoro-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 172590955
3-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]benzamide
CID 58886411
4-[3-[5-(1H-imidazol-2-yl)pyridazin-4-yl]phenyl]morpholine
CID 123186348
3-methyl-6-(3-morpholin-4-ylphenyl)-N-phenylpyrazine-2-carboxamide
CID 91110077
4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine
CID 68941490
4-N-(3-chloro-2,4-difluorophenyl)-4-N-methyl-2-N-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 25015407
CID 89285124
CID 89285124
2-fluoro-5-methyl-N-[3-[(2R)-1-[6-(3-morpholin-4-ylphenyl)pyrazin-2-yl]propan-2-yl]phenyl]benzamide
CID 158585239

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]phenyl]morpholine?
The IUPAC name of 4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]phenyl]morpholine (CID 70673155) is 4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]phenyl]morpholine.
What is the SMILES notation for 4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]phenyl]morpholine?
The canonical SMILES for 4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]phenyl]morpholine is CC(c1c(F)ccc(F)c1Cl)N1CCNc2ncc(-c3cccc(N4CCOCC4)c3)nc21.
What is the InChIKey of 4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]phenyl]morpholine?
The InChIKey is RTKHQYNNOBHOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF2N5O/c1-15(21-18(26)5-6-19(27)22(21)25)32-8-7-28-23-24(32)30-20(14-29-23)16-3-2-4-17(13-16)31-9-11-33-12-10-31/h2-6,13-15H,7-12H2,1H3,(H,28,29).
What are the key properties of 4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]phenyl]morpholine?
4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]phenyl]morpholine has a molecular weight of 471.94 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]phenyl]morpholine is sourced from PubChem (CID 70673155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).