8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one

C20H20N6O3 — CID 58379562

IUPAC8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4C)cn1
InChIInChI=1S/C20H20N6O3/c1-25-16-11-21-15-4-3-14(12-9-22-19(28-2)23-10-12)24-17(15)18(16)26(20(25)27)13-5-7-29-8-6-13/h3-4,9-11,13H,5-8H2,1-2H3
InChIKeyCSUPQVRWQHEDEW-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.10
Rot. Bonds3

About 8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one

8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379562) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379562
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4C)cn1
InChIInChI=1S/C20H20N6O3/c1-25-16-11-21-15-4-3-14(12-9-22-19(28-2)23-10-12)24-17(15)18(16)26(20(25)27)13-5-7-29-8-6-13/h3-4,9-11,13H,5-8H2,1-2H3
InChIKeyCSUPQVRWQHEDEW-UHFFFAOYSA-N
XLogP2.10
TPSA96.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379562) is 8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4C)cn1.
What is the InChIKey of 8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is CSUPQVRWQHEDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-25-16-11-21-15-4-3-14(12-9-22-19(28-2)23-10-12)24-17(15)18(16)26(20(25)27)13-5-7-29-8-6-13/h3-4,9-11,13H,5-8H2,1-2H3.
What are the key properties of 8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 392.42 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxypyrimidin-5-yl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).