(3S)-6-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one

C13H16ClN3O — CID 57151233

IUPAC(3S)-6-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCC(C)=CCN1c2nc(Cl)ccc2NC(=O)[C@@H]1C
InChIInChI=1S/C13H16ClN3O/c1-8(2)6-7-17-9(3)13(18)15-10-4-5-11(14)16-12(10)17/h4-6,9H,7H2,1-3H3,(H,15,18)/t9-/m0/s1
InChIKeyUDQNRZUJYYIAAU-VIFPVBQESA-N
MW265.74 g/mol
LogP2.85
Rot. Bonds2

About (3S)-6-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one

(3S)-6-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 57151233) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is (3S)-6-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name(3S)-6-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID57151233
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name(3S)-6-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCC(C)=CCN1c2nc(Cl)ccc2NC(=O)[C@@H]1C
InChIInChI=1S/C13H16ClN3O/c1-8(2)6-7-17-9(3)13(18)15-10-4-5-11(14)16-12(10)17/h4-6,9H,7H2,1-3H3,(H,15,18)/t9-/m0/s1
InChIKeyUDQNRZUJYYIAAU-VIFPVBQESA-N
XLogP2.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S)-6-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-6-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of (3S)-6-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 57151233) is (3S)-6-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for (3S)-6-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for (3S)-6-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one is CC(C)=CCN1c2nc(Cl)ccc2NC(=O)[C@@H]1C.
What is the InChIKey of (3S)-6-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is UDQNRZUJYYIAAU-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-8(2)6-7-17-9(3)13(18)15-10-4-5-11(14)16-12(10)17/h4-6,9H,7H2,1-3H3,(H,15,18)/t9-/m0/s1.
What are the key properties of (3S)-6-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
(3S)-6-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 265.74 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 57151233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).