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'}

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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).