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

C22H24ClF2N7O — CID 67007924

IUPAC4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine
SMILESFc1ccc(F)c(CN2CCNc3ncc(-c4cnn(CCN5CCOCC5)c4)nc32)c1Cl
InChIInChI=1S/C22H24ClF2N7O/c23-20-16(17(24)1-2-18(20)25)14-31-4-3-26-21-22(31)29-19(12-27-21)15-11-28-32(13-15)6-5-30-7-9-33-10-8-30/h1-2,11-13H,3-10,14H2,(H,26,27)
InChIKeyNZRKPFPNRDQHFN-UHFFFAOYSA-N
MW475.93 g/mol
LogP3.04
Rot. Bonds6

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

4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine (PubChem CID 67007924) has the molecular formula C22H24ClF2N7O and a molecular weight of 475.93 g/mol. Its IUPAC name is 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine
PubChem CID67007924
Molecular FormulaC22H24ClF2N7O
Molecular Weight475.93 g/mol
Exact Mass475.17
IUPAC Name4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine
SMILESFc1ccc(F)c(CN2CCNc3ncc(-c4cnn(CCN5CCOCC5)c4)nc32)c1Cl
InChIInChI=1S/C22H24ClF2N7O/c23-20-16(17(24)1-2-18(20)25)14-31-4-3-26-21-22(31)29-19(12-27-21)15-11-28-32(13-15)6-5-30-7-9-33-10-8-30/h1-2,11-13H,3-10,14H2,(H,26,27)
InChIKeyNZRKPFPNRDQHFN-UHFFFAOYSA-N
XLogP3.04
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.93
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine (CID 67007924) is 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine is Fc1ccc(F)c(CN2CCNc3ncc(-c4cnn(CCN5CCOCC5)c4)nc32)c1Cl.
What is the InChIKey of 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine?
The InChIKey is NZRKPFPNRDQHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF2N7O/c23-20-16(17(24)1-2-18(20)25)14-31-4-3-26-21-22(31)29-19(12-27-21)15-11-28-32(13-15)6-5-30-7-9-33-10-8-30/h1-2,11-13H,3-10,14H2,(H,26,27).
What are the key properties of 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine?
4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine has a molecular weight of 475.93 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 67007924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).