[4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone

C23H21N5O2 — CID 134505023

IUPAC[4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone
SMILESNc1ccc(-c2cnc3cnc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1
InChIInChI=1S/C23H21N5O2/c24-19-7-5-17(6-8-19)21-13-26-22-14-25-20(15-28(21)22)16-1-3-18(4-2-16)23(29)27-9-11-30-12-10-27/h1-8,13-15H,9-12,24H2
InChIKeyVTDRSXYKUYHLJT-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.12
Rot. Bonds3

About [4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone

[4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 134505023) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is [4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID134505023
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name[4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone
SMILESNc1ccc(-c2cnc3cnc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1
InChIInChI=1S/C23H21N5O2/c24-19-7-5-17(6-8-19)21-13-26-22-14-25-20(15-28(21)22)16-1-3-18(4-2-16)23(29)27-9-11-30-12-10-27/h1-8,13-15H,9-12,24H2
InChIKeyVTDRSXYKUYHLJT-UHFFFAOYSA-N
XLogP3.12
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[4-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzoyl]piperidin-4-yl]acetamide
CID 134504993
2,2,2-trifluoro-N-[1-[4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzoyl]piperidin-4-yl]acetamide
CID 134504954
(4-aminopiperidin-1-yl)-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]methanone
CID 164616357
morpholin-4-yl-[4-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
CID 118000365
4-(6-bromoimidazo[1,2-a]pyrazin-3-yl)aniline
CID 134505000
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
5-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 140905207
[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone
CID 68775123
morpholin-4-yl-[4-(5-pentyl-2-pyridinyl)phenyl]methanone
CID 5104728
(4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 158649732
morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone
CID 32686320
carbon dioxide;6-(4-ethylphenyl)imidazo[1,2-a]pyrazine;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl] formate;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl]-morpholin-4-ylmethanone;morpholine
CID 161171820

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone (CID 134505023) is [4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone is Nc1ccc(-c2cnc3cnc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1.
What is the InChIKey of [4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is VTDRSXYKUYHLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c24-19-7-5-17(6-8-19)21-13-26-22-14-25-20(15-28(21)22)16-1-3-18(4-2-16)23(29)27-9-11-30-12-10-27/h1-8,13-15H,9-12,24H2.
What are the key properties of [4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone?
[4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 399.45 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 134505023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).