morpholin-4-yl-[4-[6-[1-(4-morpholin-4-ylanilino)ethenylamino]-2,3-dihydropyrazin-5-yl]phenyl]methanone

C27H32N6O3 — CID 134356279

IUPACmorpholin-4-yl-[4-[6-[1-(4-morpholin-4-ylanilino)ethenylamino]-2,3-dihydropyrazin-5-yl]phenyl]methanone
SMILESC=C(NC1=NCCN=C1c1ccc(C(=O)N2CCOCC2)cc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C27H32N6O3/c1-20(30-23-6-8-24(9-7-23)32-12-16-35-17-13-32)31-26-25(28-10-11-29-26)21-2-4-22(5-3-21)27(34)33-14-18-36-19-15-33/h2-9,30H,1,10-19H2,(H,29,31)
InChIKeyIVLRZVATLBQLQD-UHFFFAOYSA-N
MW488.59 g/mol
LogP2.37
Rot. Bonds6

About morpholin-4-yl-[4-[6-[1-(4-morpholin-4-ylanilino)ethenylamino]-2,3-dihydropyrazin-5-yl]phenyl]methanone

morpholin-4-yl-[4-[6-[1-(4-morpholin-4-ylanilino)ethenylamino]-2,3-dihydropyrazin-5-yl]phenyl]methanone (PubChem CID 134356279) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is morpholin-4-yl-[4-[6-[1-(4-morpholin-4-ylanilino)ethenylamino]-2,3-dihydropyrazin-5-yl]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[6-[1-(4-morpholin-4-ylanilino)ethenylamino]-2,3-dihydropyrazin-5-yl]phenyl]methanone
PubChem CID134356279
Molecular FormulaC27H32N6O3
Molecular Weight488.59 g/mol
Exact Mass488.25
IUPAC Namemorpholin-4-yl-[4-[6-[1-(4-morpholin-4-ylanilino)ethenylamino]-2,3-dihydropyrazin-5-yl]phenyl]methanone
SMILESC=C(NC1=NCCN=C1c1ccc(C(=O)N2CCOCC2)cc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C27H32N6O3/c1-20(30-23-6-8-24(9-7-23)32-12-16-35-17-13-32)31-26-25(28-10-11-29-26)21-2-4-22(5-3-21)27(34)33-14-18-36-19-15-33/h2-9,30H,1,10-19H2,(H,29,31)
InChIKeyIVLRZVATLBQLQD-UHFFFAOYSA-N
XLogP2.37
TPSA90.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze morpholin-4-yl-[4-[6-[1-(4-morpholin-4-ylanilino)ethenylamino]-2,3-dihydropyrazin-5-yl]phenyl]methanone 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-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
CID 117085734
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 71822640
N-[4-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166403525
1,1-dimethyl-3-[4-(4-morpholin-4-ylphenyl)phenyl]urea
CID 72939182
1-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[4-(4-propylpiperazine-1-carbonyl)phenyl]urea
CID 166167929
N-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30258077
[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]thiourea
CID 50896011
trans-(1S,2S)-2-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1080146
1-[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea
CID 70975031
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
N,N-dimethyl-4-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 70703870

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[6-[1-(4-morpholin-4-ylanilino)ethenylamino]-2,3-dihydropyrazin-5-yl]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-[6-[1-(4-morpholin-4-ylanilino)ethenylamino]-2,3-dihydropyrazin-5-yl]phenyl]methanone (CID 134356279) is morpholin-4-yl-[4-[6-[1-(4-morpholin-4-ylanilino)ethenylamino]-2,3-dihydropyrazin-5-yl]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[6-[1-(4-morpholin-4-ylanilino)ethenylamino]-2,3-dihydropyrazin-5-yl]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[6-[1-(4-morpholin-4-ylanilino)ethenylamino]-2,3-dihydropyrazin-5-yl]phenyl]methanone is C=C(NC1=NCCN=C1c1ccc(C(=O)N2CCOCC2)cc1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of morpholin-4-yl-[4-[6-[1-(4-morpholin-4-ylanilino)ethenylamino]-2,3-dihydropyrazin-5-yl]phenyl]methanone?
The InChIKey is IVLRZVATLBQLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3/c1-20(30-23-6-8-24(9-7-23)32-12-16-35-17-13-32)31-26-25(28-10-11-29-26)21-2-4-22(5-3-21)27(34)33-14-18-36-19-15-33/h2-9,30H,1,10-19H2,(H,29,31).
What are the key properties of morpholin-4-yl-[4-[6-[1-(4-morpholin-4-ylanilino)ethenylamino]-2,3-dihydropyrazin-5-yl]phenyl]methanone?
morpholin-4-yl-[4-[6-[1-(4-morpholin-4-ylanilino)ethenylamino]-2,3-dihydropyrazin-5-yl]phenyl]methanone has a molecular weight of 488.59 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[6-[1-(4-morpholin-4-ylanilino)ethenylamino]-2,3-dihydropyrazin-5-yl]phenyl]methanone is sourced from PubChem (CID 134356279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).