6-chloro-4-(4,4-dimethylcyclohexyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one

C17H24ClN3O — CID 129237874

IUPAC6-chloro-4-(4,4-dimethylcyclohexyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
SMILESCC1C(=O)N(C)c2ccc(Cl)nc2N1C1CCC(C)(C)CC1
InChIInChI=1S/C17H24ClN3O/c1-11-16(22)20(4)13-5-6-14(18)19-15(13)21(11)12-7-9-17(2,3)10-8-12/h5-6,11-12H,7-10H2,1-4H3
InChIKeyOOVDIKINRCTVML-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.88
Rot. Bonds1

About 6-chloro-4-(4,4-dimethylcyclohexyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one

6-chloro-4-(4,4-dimethylcyclohexyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one (PubChem CID 129237874) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is 6-chloro-4-(4,4-dimethylcyclohexyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name6-chloro-4-(4,4-dimethylcyclohexyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
PubChem CID129237874
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name6-chloro-4-(4,4-dimethylcyclohexyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
SMILESCC1C(=O)N(C)c2ccc(Cl)nc2N1C1CCC(C)(C)CC1
InChIInChI=1S/C17H24ClN3O/c1-11-16(22)20(4)13-5-6-14(18)19-15(13)21(11)12-7-9-17(2,3)10-8-12/h5-6,11-12H,7-10H2,1-4H3
InChIKeyOOVDIKINRCTVML-UHFFFAOYSA-N
XLogP3.88
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-4-(4,4-dimethylcyclohexyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one with MolForge

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Related Compounds

(3R)-6-chloro-4-cyclopentyl-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
CID 121412212
(2R)-7-chloro-1-cyclopentyl-2-methyl-2,4-dihydro-1,8-naphthyridin-3-one
CID 159541514
(3R)-6-[4-(2-azaspiro[3.3]heptan-2-yl)anilino]-1,3-dimethyl-4-(oxan-4-yl)-3H-pyrido[2,3-b]pyrazin-2-one
CID 118612447
(2S)-7-chloro-1-cyclopentyl-2,4-dimethyl-2H-pyrido[3,4-b]pyrazin-3-one
CID 118618081
4-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]benzenesulfinic acid
CID 118608404
5-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-2-methylbenzenesulfonamide
CID 87055030
methyl 4-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-methylbenzoate
CID 121454245
(3R)-6-(4-acetyl-2-methoxyanilino)-4-cyclopentyl-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
CID 121424054
5-[[(3S)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]pyridine-2-carbonitrile
CID 118608361
6-bromo-4-cyclobutyl-1,3-dimethyl-3H-quinoxalin-2-one
CID 175371087
4-cyclopropyl-6-[1-(4-fluorophenyl)-3-oxo-6,7-dihydro-1H-isoindol-2-yl]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
CID 155394842
6-chloro-3-(2,6-dimethylpiperidin-1-yl)-2-methylpyridine
CID 82225092

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4,4-dimethylcyclohexyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 6-chloro-4-(4,4-dimethylcyclohexyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one (CID 129237874) is 6-chloro-4-(4,4-dimethylcyclohexyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 6-chloro-4-(4,4-dimethylcyclohexyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 6-chloro-4-(4,4-dimethylcyclohexyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one is CC1C(=O)N(C)c2ccc(Cl)nc2N1C1CCC(C)(C)CC1.
What is the InChIKey of 6-chloro-4-(4,4-dimethylcyclohexyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one?
The InChIKey is OOVDIKINRCTVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c1-11-16(22)20(4)13-5-6-14(18)19-15(13)21(11)12-7-9-17(2,3)10-8-12/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 6-chloro-4-(4,4-dimethylcyclohexyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one?
6-chloro-4-(4,4-dimethylcyclohexyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one has a molecular weight of 321.85 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4,4-dimethylcyclohexyl)-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 129237874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).