1-(3-chloro-4-methoxyphenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone

C15H16ClN3O2 — CID 63025553

IUPAC1-(3-chloro-4-methoxyphenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
SMILESCOc1ccc(C(=O)CN2CCn3ccnc3C2)cc1Cl
InChIInChI=1S/C15H16ClN3O2/c1-21-14-3-2-11(8-12(14)16)13(20)9-18-6-7-19-5-4-17-15(19)10-18/h2-5,8H,6-7,9-10H2,1H3
InChIKeyKKWMNUGWPMAGLQ-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.24
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone

1-(3-chloro-4-methoxyphenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone (PubChem CID 63025553) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
PubChem CID63025553
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
SMILESCOc1ccc(C(=O)CN2CCn3ccnc3C2)cc1Cl
InChIInChI=1S/C15H16ClN3O2/c1-21-14-3-2-11(8-12(14)16)13(20)9-18-6-7-19-5-4-17-15(19)10-18/h2-5,8H,6-7,9-10H2,1H3
InChIKeyKKWMNUGWPMAGLQ-UHFFFAOYSA-N
XLogP2.24
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-chloro-4-methoxyphenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone with MolForge

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Related Compounds

1-(3,4-dichlorophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63025214
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 63026239
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598
1-(3-bromophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63026581
4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
CID 60680385
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(3,4-dimethoxyphenyl)methanone
CID 110712619
(3-bromo-4-methoxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 63025771
2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanone
CID 110368777
1-(3-chloro-4-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanone
CID 43222130
4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one
CID 63608368
4-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1-methylpiperazin-2-one
CID 64693041

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone (CID 63025553) is 1-(3-chloro-4-methoxyphenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone is COc1ccc(C(=O)CN2CCn3ccnc3C2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone?
The InChIKey is KKWMNUGWPMAGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-21-14-3-2-11(8-12(14)16)13(20)9-18-6-7-19-5-4-17-15(19)10-18/h2-5,8H,6-7,9-10H2,1H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone?
1-(3-chloro-4-methoxyphenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone has a molecular weight of 305.77 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone is sourced from PubChem (CID 63025553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).