[4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]-(furan-2-yl)methanone

C21H20N6O2 — CID 126473544

IUPAC[4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESNc1ccc(-c2cnc3c(N4CCN(C(=O)c5ccco5)CC4)nccn23)cc1
InChIInChI=1S/C21H20N6O2/c22-16-5-3-15(4-6-16)17-14-24-20-19(23-7-8-27(17)20)25-9-11-26(12-10-25)21(28)18-2-1-13-29-18/h1-8,13-14H,9-12,22H2
InChIKeyPYJCHRZNCOBLEF-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.53
Rot. Bonds3

About [4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 126473544) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is [4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID126473544
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name[4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESNc1ccc(-c2cnc3c(N4CCN(C(=O)c5ccco5)CC4)nccn23)cc1
InChIInChI=1S/C21H20N6O2/c22-16-5-3-15(4-6-16)17-14-24-20-19(23-7-8-27(17)20)25-9-11-26(12-10-25)21(28)18-2-1-13-29-18/h1-8,13-14H,9-12,22H2
InChIKeyPYJCHRZNCOBLEF-UHFFFAOYSA-N
XLogP2.53
TPSA92.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

furan-2-yl-[4-[5-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methanone
CID 126474822
N-[3-[8-[4-(furan-2-carbonyl)piperazin-1-yl]imidazo[1,2-a]pyrazin-5-yl]phenyl]acetamide
CID 126475060
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812129
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
4-(furan-2-carbonyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 136577040
[4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 53333640
8-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 171695563
[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 137341507
[4-(6-amino-5-methyl-3-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 83970287
[4-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 165434167
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109168568

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]-(furan-2-yl)methanone (CID 126473544) is [4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]-(furan-2-yl)methanone is Nc1ccc(-c2cnc3c(N4CCN(C(=O)c5ccco5)CC4)nccn23)cc1.
What is the InChIKey of [4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is PYJCHRZNCOBLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c22-16-5-3-15(4-6-16)17-14-24-20-19(23-7-8-27(17)20)25-9-11-26(12-10-25)21(28)18-2-1-13-29-18/h1-8,13-14H,9-12,22H2.
What are the key properties of [4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 388.43 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 126473544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).