6-chloro-4'-methylspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one

C13H16ClN3O — CID 113316813

IUPAC6-chloro-4'-methylspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one
SMILESCC1CCC2(CC1)Nc1nc(Cl)ccc1NC2=O
InChIInChI=1S/C13H16ClN3O/c1-8-4-6-13(7-5-8)12(18)15-9-2-3-10(14)16-11(9)17-13/h2-3,8H,4-7H2,1H3,(H,15,18)(H,16,17)
InChIKeyZRMIYHOZPLAWEV-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.05
Rot. Bonds

About 6-chloro-4'-methylspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one

6-chloro-4'-methylspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one (PubChem CID 113316813) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 6-chloro-4'-methylspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name6-chloro-4'-methylspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one
PubChem CID113316813
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name6-chloro-4'-methylspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one
SMILESCC1CCC2(CC1)Nc1nc(Cl)ccc1NC2=O
InChIInChI=1S/C13H16ClN3O/c1-8-4-6-13(7-5-8)12(18)15-9-2-3-10(14)16-11(9)17-13/h2-3,8H,4-7H2,1H3,(H,15,18)(H,16,17)
InChIKeyZRMIYHOZPLAWEV-UHFFFAOYSA-N
XLogP3.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-4'-methylspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-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

Related Compounds

6-chloro-3,3-dimethyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one
CID 19932785
7-bromo-4'-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 79296030
6-chloro-3-ethyl-3-methyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one
CID 115473937
4'-ethyl-6-methoxyspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one
CID 115323586
7-chlorospiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclopentane]-2-one
CID 113316845
3-[(6-chloro-2-pyridinyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 79233332
6-chloro-3-cyclopropyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
CID 115473868
7-chlorospiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclohexane]-2-one
CID 115473961
CID 138502844
CID 138502844
3-[(6-chloropyridazin-3-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 104513859
4'-methyl-3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-5-carbonitrile
CID 104720282
7-chloro-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione
CID 21073909

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4'-methylspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one?
The IUPAC name of 6-chloro-4'-methylspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one (CID 113316813) is 6-chloro-4'-methylspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 6-chloro-4'-methylspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one?
The canonical SMILES for 6-chloro-4'-methylspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one is CC1CCC2(CC1)Nc1nc(Cl)ccc1NC2=O.
What is the InChIKey of 6-chloro-4'-methylspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one?
The InChIKey is ZRMIYHOZPLAWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-8-4-6-13(7-5-8)12(18)15-9-2-3-10(14)16-11(9)17-13/h2-3,8H,4-7H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 6-chloro-4'-methylspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one?
6-chloro-4'-methylspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one has a molecular weight of 265.74 g/mol, XLogP of 3.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4'-methylspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 113316813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).