furan-2-yl-[4-[5-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methanone

C22H21N5O3 — CID 126474822

IUPACfuran-2-yl-[4-[5-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methanone
SMILESCOc1cccc(-c2cnc(N3CCN(C(=O)c4ccco4)CC3)c3nccn23)c1
InChIInChI=1S/C22H21N5O3/c1-29-17-5-2-4-16(14-17)18-15-24-20(21-23-7-8-27(18)21)25-9-11-26(12-10-25)22(28)19-6-3-13-30-19/h2-8,13-15H,9-12H2,1H3
InChIKeyJXPSIISNKTVWSN-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.96
Rot. Bonds4

About furan-2-yl-[4-[5-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methanone

furan-2-yl-[4-[5-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methanone (PubChem CID 126474822) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is furan-2-yl-[4-[5-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[5-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methanone
PubChem CID126474822
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Namefuran-2-yl-[4-[5-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methanone
SMILESCOc1cccc(-c2cnc(N3CCN(C(=O)c4ccco4)CC3)c3nccn23)c1
InChIInChI=1S/C22H21N5O3/c1-29-17-5-2-4-16(14-17)18-15-24-20(21-23-7-8-27(18)21)25-9-11-26(12-10-25)22(28)19-6-3-13-30-19/h2-8,13-15H,9-12H2,1H3
InChIKeyJXPSIISNKTVWSN-UHFFFAOYSA-N
XLogP2.96
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[8-[4-(furan-2-carbonyl)piperazin-1-yl]imidazo[1,2-a]pyrazin-5-yl]phenyl]acetamide
CID 126475060
[4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 126473544
[4-(furan-2-carbonyl)piperazin-1-yl]-[(5R)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 40503680
3-(3-methoxyphenyl)-8-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 171696459
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38910909
1-[2-[4-[5-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 155870446
furan-2-yl-[4-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
CID 44968166
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
N,N-dimethyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl)benzamide
CID 126473291
8-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 171695563
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
[4-[6,7-dimethoxy-3-(methylamino)quinoxalin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 23934063

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[5-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[5-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methanone (CID 126474822) is furan-2-yl-[4-[5-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[5-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[5-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methanone is COc1cccc(-c2cnc(N3CCN(C(=O)c4ccco4)CC3)c3nccn23)c1.
What is the InChIKey of furan-2-yl-[4-[5-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methanone?
The InChIKey is JXPSIISNKTVWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-29-17-5-2-4-16(14-17)18-15-24-20(21-23-7-8-27(18)21)25-9-11-26(12-10-25)22(28)19-6-3-13-30-19/h2-8,13-15H,9-12H2,1H3.
What are the key properties of furan-2-yl-[4-[5-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methanone?
furan-2-yl-[4-[5-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methanone has a molecular weight of 403.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[5-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 126474822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).