1-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-4-(methylamino)butan-1-one

C26H30N6O3 — CID 167550963

IUPAC1-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-4-(methylamino)butan-1-one
SMILESCNCCCC(=O)c1ccc(-c2cnc(N)c(C(=O)Cc3cnccc3N3CCOCC3)n2)cc1
InChIInChI=1S/C26H30N6O3/c1-28-9-2-3-23(33)19-6-4-18(5-7-19)21-17-30-26(27)25(31-21)24(34)15-20-16-29-10-8-22(20)32-11-13-35-14-12-32/h4-8,10,16-17,28H,2-3,9,11-15H2,1H3,(H2,27,30)
InChIKeyCJWKJFDWRVDZCE-UHFFFAOYSA-N
MW474.57 g/mol
LogP2.57
Rot. Bonds10

About 1-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-4-(methylamino)butan-1-one

1-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-4-(methylamino)butan-1-one (PubChem CID 167550963) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 1-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-4-(methylamino)butan-1-one.

Molecular Properties

Compound Name1-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-4-(methylamino)butan-1-one
PubChem CID167550963
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name1-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-4-(methylamino)butan-1-one
SMILESCNCCCC(=O)c1ccc(-c2cnc(N)c(C(=O)Cc3cnccc3N3CCOCC3)n2)cc1
InChIInChI=1S/C26H30N6O3/c1-28-9-2-3-23(33)19-6-4-18(5-7-19)21-17-30-26(27)25(31-21)24(34)15-20-16-29-10-8-22(20)32-11-13-35-14-12-32/h4-8,10,16-17,28H,2-3,9,11-15H2,1H3,(H2,27,30)
InChIKeyCJWKJFDWRVDZCE-UHFFFAOYSA-N
XLogP2.57
TPSA123.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-4-(methylamino)butan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-(3-amino-6-phenylpyrazin-2-yl)-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167691905
1-[3-amino-6-[4-(3-aminopropyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167672209
(2S)-3-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-2-(methylamino)propanoic acid
CID 167698926
methyl (2S)-2-amino-3-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]propanoate
CID 167597149
1-[3-amino-6-[2-methyl-4-(methylaminomethyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167623393
1-[3-amino-6-(3-butylphenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167680699
1-[3-amino-6-(3-chlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167618356
1-[3-amino-6-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167679439
1-[3-amino-6-(2,4-dichlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167633645
tert-butyl N-[5-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]-2,3-dihydro-1H-inden-2-yl]carbamate
CID 167555274
benzyl (3R)-3-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenoxy]pyrrolidine-1-carboxylate
CID 167545975
1-[3-amino-6-[4-[2-(methylamino)ethyl]phenyl]pyrazin-2-yl]-2-[4-(2-methylimidazol-1-yl)-3-pyridinyl]ethanone
CID 167583660

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-4-(methylamino)butan-1-one?
The IUPAC name of 1-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-4-(methylamino)butan-1-one (CID 167550963) is 1-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-4-(methylamino)butan-1-one.
What is the SMILES notation for 1-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-4-(methylamino)butan-1-one?
The canonical SMILES for 1-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-4-(methylamino)butan-1-one is CNCCCC(=O)c1ccc(-c2cnc(N)c(C(=O)Cc3cnccc3N3CCOCC3)n2)cc1.
What is the InChIKey of 1-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-4-(methylamino)butan-1-one?
The InChIKey is CJWKJFDWRVDZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-28-9-2-3-23(33)19-6-4-18(5-7-19)21-17-30-26(27)25(31-21)24(34)15-20-16-29-10-8-22(20)32-11-13-35-14-12-32/h4-8,10,16-17,28H,2-3,9,11-15H2,1H3,(H2,27,30).
What are the key properties of 1-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-4-(methylamino)butan-1-one?
1-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-4-(methylamino)butan-1-one has a molecular weight of 474.57 g/mol, XLogP of 2.57, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-4-(methylamino)butan-1-one is sourced from PubChem (CID 167550963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).