(2S)-7-chloro-1-cyclopentyl-2,4-dimethyl-2H-pyrido[3,4-b]pyrazin-3-one

C14H18ClN3O — CID 118618081

IUPAC(2S)-7-chloro-1-cyclopentyl-2,4-dimethyl-2H-pyrido[3,4-b]pyrazin-3-one
SMILESC[C@H]1C(=O)N(C)c2cnc(Cl)cc2N1C1CCCC1
InChIInChI=1S/C14H18ClN3O/c1-9-14(19)17(2)12-8-16-13(15)7-11(12)18(9)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyXGQIPGRZLMRDEZ-VIFPVBQESA-N
MW279.77 g/mol
LogP2.85
Rot. Bonds1

About (2S)-7-chloro-1-cyclopentyl-2,4-dimethyl-2H-pyrido[3,4-b]pyrazin-3-one

(2S)-7-chloro-1-cyclopentyl-2,4-dimethyl-2H-pyrido[3,4-b]pyrazin-3-one (PubChem CID 118618081) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is (2S)-7-chloro-1-cyclopentyl-2,4-dimethyl-2H-pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name(2S)-7-chloro-1-cyclopentyl-2,4-dimethyl-2H-pyrido[3,4-b]pyrazin-3-one
PubChem CID118618081
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name(2S)-7-chloro-1-cyclopentyl-2,4-dimethyl-2H-pyrido[3,4-b]pyrazin-3-one
SMILESC[C@H]1C(=O)N(C)c2cnc(Cl)cc2N1C1CCCC1
InChIInChI=1S/C14H18ClN3O/c1-9-14(19)17(2)12-8-16-13(15)7-11(12)18(9)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyXGQIPGRZLMRDEZ-VIFPVBQESA-N
XLogP2.85
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-7-chloro-1-cyclopentyl-2,4-dimethyl-2H-pyrido[3,4-b]pyrazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

(2R)-7-chloro-2,4-dimethyl-1-propan-2-yl-2H-pyrido[3,4-b]pyrazin-3-one
CID 118608686
(3R)-6-chloro-4-cyclopentyl-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
CID 121412212
6-bromo-4-cyclobutyl-1,3-dimethyl-3H-quinoxalin-2-one
CID 175371087
6-chloro-4-(4,4-dimethylcyclohexyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
CID 129237874
3-chloro-4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 11466391
2-chloro-8-cyclopentyl-5,7-dimethyl-6-methylidene-7H-pteridine
CID 123734885
5-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-4-methoxypyridine-2-carboxylic acid
CID 178015512
4-[(8-cyclohexyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzoic acid
CID 20761845
2,4-dimethyl-7-[3-(3-methylpiperidine-1-carbonyl)anilino]-1-(oxan-4-yl)-2H-pyrido[3,4-b]pyrazin-3-one
CID 118608634
4-[(4-cycloheptyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 123268592
3-[[2,4-dimethyl-1-(oxan-4-yl)-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl]amino]-N-(1H-pyrazol-5-yl)benzamide
CID 118608663
(3R)-4-cyclopentyl-1,3-dimethyl-6-[3-(8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-1-(4-methylphenyl)pyrazol-5-yl]-3H-quinoxalin-2-one
CID 146322267

Frequently Asked Questions

What is the IUPAC name of (2S)-7-chloro-1-cyclopentyl-2,4-dimethyl-2H-pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of (2S)-7-chloro-1-cyclopentyl-2,4-dimethyl-2H-pyrido[3,4-b]pyrazin-3-one (CID 118618081) is (2S)-7-chloro-1-cyclopentyl-2,4-dimethyl-2H-pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for (2S)-7-chloro-1-cyclopentyl-2,4-dimethyl-2H-pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for (2S)-7-chloro-1-cyclopentyl-2,4-dimethyl-2H-pyrido[3,4-b]pyrazin-3-one is C[C@H]1C(=O)N(C)c2cnc(Cl)cc2N1C1CCCC1.
What is the InChIKey of (2S)-7-chloro-1-cyclopentyl-2,4-dimethyl-2H-pyrido[3,4-b]pyrazin-3-one?
The InChIKey is XGQIPGRZLMRDEZ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-9-14(19)17(2)12-8-16-13(15)7-11(12)18(9)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-7-chloro-1-cyclopentyl-2,4-dimethyl-2H-pyrido[3,4-b]pyrazin-3-one?
(2S)-7-chloro-1-cyclopentyl-2,4-dimethyl-2H-pyrido[3,4-b]pyrazin-3-one has a molecular weight of 279.77 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-chloro-1-cyclopentyl-2,4-dimethyl-2H-pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 118618081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).