(2S)-2-chloro-1-(3-chloro-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one

C9H11Cl2N3O — CID 129498336

IUPAC(2S)-2-chloro-1-(3-chloro-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one
SMILESC[C@H](Cl)C(=O)N1CCn2c(Cl)cnc2C1
InChIInChI=1S/C9H11Cl2N3O/c1-6(10)9(15)13-2-3-14-7(11)4-12-8(14)5-13/h4,6H,2-3,5H2,1H3/t6-/m0/s1
InChIKeyHYSUAZDUJRILRR-LURJTMIESA-N
MW248.11 g/mol
LogP1.51
Rot. Bonds1

About (2S)-2-chloro-1-(3-chloro-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one

(2S)-2-chloro-1-(3-chloro-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one (PubChem CID 129498336) has the molecular formula C9H11Cl2N3O and a molecular weight of 248.11 g/mol. Its IUPAC name is (2S)-2-chloro-1-(3-chloro-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-chloro-1-(3-chloro-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one
PubChem CID129498336
Molecular FormulaC9H11Cl2N3O
Molecular Weight248.11 g/mol
Exact Mass247.03
IUPAC Name(2S)-2-chloro-1-(3-chloro-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one
SMILESC[C@H](Cl)C(=O)N1CCn2c(Cl)cnc2C1
InChIInChI=1S/C9H11Cl2N3O/c1-6(10)9(15)13-2-3-14-7(11)4-12-8(14)5-13/h4,6H,2-3,5H2,1H3/t6-/m0/s1
InChIKeyHYSUAZDUJRILRR-LURJTMIESA-N
XLogP1.51
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboximidamide
CID 121202911
2-chloro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 106313518
2-(3-chloro-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanol
CID 121202894
2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108569993
(2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 93378573
2-chloro-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3273405
2-chloro-1-pyrrolidin-1-ylpropan-1-one
CID 3276100
(2S)-2-chloro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 93494250
1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)but-2-yn-1-one
CID 177230595
7-(2-methylpropanoyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 172548506
7-[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 95230943
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-chloropropan-1-one
CID 108570247

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-1-(3-chloro-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one?
The IUPAC name of (2S)-2-chloro-1-(3-chloro-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one (CID 129498336) is (2S)-2-chloro-1-(3-chloro-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one.
What is the SMILES notation for (2S)-2-chloro-1-(3-chloro-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one?
The canonical SMILES for (2S)-2-chloro-1-(3-chloro-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one is C[C@H](Cl)C(=O)N1CCn2c(Cl)cnc2C1.
What is the InChIKey of (2S)-2-chloro-1-(3-chloro-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one?
The InChIKey is HYSUAZDUJRILRR-LURJTMIESA-N. The full InChI is InChI=1S/C9H11Cl2N3O/c1-6(10)9(15)13-2-3-14-7(11)4-12-8(14)5-13/h4,6H,2-3,5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-chloro-1-(3-chloro-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one?
(2S)-2-chloro-1-(3-chloro-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one has a molecular weight of 248.11 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-1-(3-chloro-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-one is sourced from PubChem (CID 129498336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).