7-chloro-4-[(2R,4R,5R)-2,5-dimethylpiperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride

C15H21Cl3N4O2 — CID 169081133

IUPAC7-chloro-4-[(2R,4R,5R)-2,5-dimethylpiperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride
SMILESC[C@@H]1C[C@@H](n2c(=O)c(=O)n(C)c3cc(Cl)cnc32)[C@H](C)CN1.Cl.Cl
InChIInChI=1S/C15H19ClN4O2.2ClH/c1-8-6-17-9(2)4-11(8)20-13-12(5-10(16)7-18-13)19(3)14(21)15(20)22;;/h5,7-9,11,17H,4,6H2,1-3H3;2*1H/t8-,9-,11-;;/m1../s1
InChIKeyYMHLYCHVXOEOQW-CUZZJZPZSA-N
MW395.72 g/mol
LogP2.15
Rot. Bonds1

About 7-chloro-4-[(2R,4R,5R)-2,5-dimethylpiperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride

7-chloro-4-[(2R,4R,5R)-2,5-dimethylpiperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride (PubChem CID 169081133) has the molecular formula C15H21Cl3N4O2 and a molecular weight of 395.72 g/mol. Its IUPAC name is 7-chloro-4-[(2R,4R,5R)-2,5-dimethylpiperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride.

Molecular Properties

Compound Name7-chloro-4-[(2R,4R,5R)-2,5-dimethylpiperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride
PubChem CID169081133
Molecular FormulaC15H21Cl3N4O2
Molecular Weight395.72 g/mol
Exact Mass394.07
IUPAC Name7-chloro-4-[(2R,4R,5R)-2,5-dimethylpiperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride
SMILESC[C@@H]1C[C@@H](n2c(=O)c(=O)n(C)c3cc(Cl)cnc32)[C@H](C)CN1.Cl.Cl
InChIInChI=1S/C15H19ClN4O2.2ClH/c1-8-6-17-9(2)4-11(8)20-13-12(5-10(16)7-18-13)19(3)14(21)15(20)22;;/h5,7-9,11,17H,4,6H2,1-3H3;2*1H/t8-,9-,11-;;/m1../s1
InChIKeyYMHLYCHVXOEOQW-CUZZJZPZSA-N
XLogP2.15
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.72
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[(2R,4R,5R)-2,5-dimethylpiperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride?
The IUPAC name of 7-chloro-4-[(2R,4R,5R)-2,5-dimethylpiperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride (CID 169081133) is 7-chloro-4-[(2R,4R,5R)-2,5-dimethylpiperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride.
What is the SMILES notation for 7-chloro-4-[(2R,4R,5R)-2,5-dimethylpiperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride?
The canonical SMILES for 7-chloro-4-[(2R,4R,5R)-2,5-dimethylpiperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride is C[C@@H]1C[C@@H](n2c(=O)c(=O)n(C)c3cc(Cl)cnc32)[C@H](C)CN1.Cl.Cl.
What is the InChIKey of 7-chloro-4-[(2R,4R,5R)-2,5-dimethylpiperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride?
The InChIKey is YMHLYCHVXOEOQW-CUZZJZPZSA-N. The full InChI is InChI=1S/C15H19ClN4O2.2ClH/c1-8-6-17-9(2)4-11(8)20-13-12(5-10(16)7-18-13)19(3)14(21)15(20)22;;/h5,7-9,11,17H,4,6H2,1-3H3;2*1H/t8-,9-,11-;;/m1../s1.
What are the key properties of 7-chloro-4-[(2R,4R,5R)-2,5-dimethylpiperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride?
7-chloro-4-[(2R,4R,5R)-2,5-dimethylpiperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride has a molecular weight of 395.72 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[(2R,4R,5R)-2,5-dimethylpiperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride is sourced from PubChem (CID 169081133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).