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

C14H18ClN3O — CID 121412212

IUPAC(3R)-6-chloro-4-cyclopentyl-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
SMILESC[C@@H]1C(=O)N(C)c2ccc(Cl)nc2N1C1CCCC1
InChIInChI=1S/C14H18ClN3O/c1-9-14(19)17(2)11-7-8-12(15)16-13(11)18(9)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyFXHADOWVIXHQMV-SECBINFHSA-N
MW279.77 g/mol
LogP2.85
Rot. Bonds1

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

(3R)-6-chloro-4-cyclopentyl-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one (PubChem CID 121412212) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is (3R)-6-chloro-4-cyclopentyl-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name(3R)-6-chloro-4-cyclopentyl-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
PubChem CID121412212
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name(3R)-6-chloro-4-cyclopentyl-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
SMILESC[C@@H]1C(=O)N(C)c2ccc(Cl)nc2N1C1CCCC1
InChIInChI=1S/C14H18ClN3O/c1-9-14(19)17(2)11-7-8-12(15)16-13(11)18(9)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyFXHADOWVIXHQMV-SECBINFHSA-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 (3R)-6-chloro-4-cyclopentyl-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one with MolForge

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Related Compounds

Pyrido[2,3-b]pyrazine-2,3-dione, 6-chloro-1,4-dihydro-
CID 10397814
(2S)-N-[1-(4-chlorophenyl)-3-cyclopentyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
CID 70980020
(2S)-N-[1-(4-chlorophenyl)-2-oxo-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
CID 70980045
(2S)-N-[1-(3-chlorophenyl)-2-oxo-3-propan-2-yl-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
CID 70980200
(2S)-N-[1-(3-chlorophenyl)-3-(3-methylbutan-2-yl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
CID 70980203
(2S)-N-[1-(3-chlorophenyl)-3-(cyclopentylmethyl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
CID 70980563
(2S)-N-[1-(4-chlorophenyl)-3-methyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
CID 70980796
(2S)-N-[1-(4-chlorophenyl)-3-cyclohexyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
CID 70980917
(2S)-N-[1-(4-chlorophenyl)-2-oxo-3-propan-2-yl-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
CID 71003290
(2S)-N-[3-(1-acetylpiperidin-4-yl)-1-(3-chlorophenyl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
CID 71003325
7-Chloro-6-propyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
CID 21625978
(2S)-N-(1,3-dimethyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide
CID 70980168

Frequently Asked Questions

What is the IUPAC name of (3R)-6-chloro-4-cyclopentyl-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of (3R)-6-chloro-4-cyclopentyl-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one (CID 121412212) is (3R)-6-chloro-4-cyclopentyl-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for (3R)-6-chloro-4-cyclopentyl-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for (3R)-6-chloro-4-cyclopentyl-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one is C[C@@H]1C(=O)N(C)c2ccc(Cl)nc2N1C1CCCC1.
What is the InChIKey of (3R)-6-chloro-4-cyclopentyl-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one?
The InChIKey is FXHADOWVIXHQMV-SECBINFHSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-9-14(19)17(2)11-7-8-12(15)16-13(11)18(9)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-6-chloro-4-cyclopentyl-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one?
(3R)-6-chloro-4-cyclopentyl-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-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 (3R)-6-chloro-4-cyclopentyl-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 121412212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).