6-methoxy-1-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrido[2,3-b]pyrazine-2,3-dione

C18H20N6O3 — CID 170600711

IUPAC6-methoxy-1-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrido[2,3-b]pyrazine-2,3-dione
SMILESCOc1ccc2c(n1)n(C1CCN(c3ncccn3)CC1)c(=O)c(=O)n2C
InChIInChI=1S/C18H20N6O3/c1-22-13-4-5-14(27-2)21-15(13)24(17(26)16(22)25)12-6-10-23(11-7-12)18-19-8-3-9-20-18/h3-5,8-9,12H,6-7,10-11H2,1-2H3
InChIKeyMDRJAOHTWYZLHD-UHFFFAOYSA-N
MW368.40 g/mol
LogP0.74
Rot. Bonds3

About 6-methoxy-1-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrido[2,3-b]pyrazine-2,3-dione

6-methoxy-1-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 170600711) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 6-methoxy-1-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name6-methoxy-1-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrido[2,3-b]pyrazine-2,3-dione
PubChem CID170600711
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name6-methoxy-1-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrido[2,3-b]pyrazine-2,3-dione
SMILESCOc1ccc2c(n1)n(C1CCN(c3ncccn3)CC1)c(=O)c(=O)n2C
InChIInChI=1S/C18H20N6O3/c1-22-13-4-5-14(27-2)21-15(13)24(17(26)16(22)25)12-6-10-23(11-7-12)18-19-8-3-9-20-18/h3-5,8-9,12H,6-7,10-11H2,1-2H3
InChIKeyMDRJAOHTWYZLHD-UHFFFAOYSA-N
XLogP0.74
TPSA95.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-methoxy-1-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrido[2,3-b]pyrazine-2,3-dione with MolForge

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Related Compounds

2-[4-(6-acetyl-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidine-5-carbonitrile
CID 170600673
6-[4-(1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 175956763
3-methyl-5-(2-methylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)benzimidazol-2-one
CID 56656263
6,7-dichloro-1-methyl-4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione
CID 170344679
6-methoxy-4-(1-methylpiperidin-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
CID 175576452
2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide
CID 170344673
5-methoxy-6-[4-(4-methyl-2,3-dioxoquinoxalin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 170358733
3-cyclopropyl-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]imidazolidine-2,4-dione
CID 154882570
4-[[2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]pyrimidin-5-yl]methylamino]benzonitrile
CID 170344626
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
7-chloro-4-[1-[5-[(2,4-dimethylpiperazin-1-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 170344609
tert-butyl 4-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 125461639

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 6-methoxy-1-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrido[2,3-b]pyrazine-2,3-dione (CID 170600711) is 6-methoxy-1-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 6-methoxy-1-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 6-methoxy-1-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrido[2,3-b]pyrazine-2,3-dione is COc1ccc2c(n1)n(C1CCN(c3ncccn3)CC1)c(=O)c(=O)n2C.
What is the InChIKey of 6-methoxy-1-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is MDRJAOHTWYZLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-22-13-4-5-14(27-2)21-15(13)24(17(26)16(22)25)12-6-10-23(11-7-12)18-19-8-3-9-20-18/h3-5,8-9,12H,6-7,10-11H2,1-2H3.
What are the key properties of 6-methoxy-1-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrido[2,3-b]pyrazine-2,3-dione?
6-methoxy-1-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 368.40 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 170600711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).