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

C21H22N6O4 — CID 58379607

IUPAC3-(2-hydroxyethyl)-8-(2-methoxypyrimidin-5-yl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4CCO)cn1
InChIInChI=1S/C21H22N6O4/c1-30-20-23-10-13(11-24-20)15-2-3-16-18(25-15)19-17(12-22-16)26(6-7-28)21(29)27(19)14-4-8-31-9-5-14/h2-3,10-12,14,28H,4-9H2,1H3
InChIKeyBQPUXKTVCMVYHE-UHFFFAOYSA-N
MW422.45 g/mol
LogP1.56
Rot. Bonds5

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

3-(2-hydroxyethyl)-8-(2-methoxypyrimidin-5-yl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379607) has the molecular formula C21H22N6O4 and a molecular weight of 422.45 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-8-(2-methoxypyrimidin-5-yl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-8-(2-methoxypyrimidin-5-yl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379607
Molecular FormulaC21H22N6O4
Molecular Weight422.45 g/mol
Exact Mass422.17
IUPAC Name3-(2-hydroxyethyl)-8-(2-methoxypyrimidin-5-yl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4CCO)cn1
InChIInChI=1S/C21H22N6O4/c1-30-20-23-10-13(11-24-20)15-2-3-16-18(25-15)19-17(12-22-16)26(6-7-28)21(29)27(19)14-4-8-31-9-5-14/h2-3,10-12,14,28H,4-9H2,1H3
InChIKeyBQPUXKTVCMVYHE-UHFFFAOYSA-N
XLogP1.56
TPSA117.18 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-8-(2-methoxypyrimidin-5-yl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 3-(2-hydroxyethyl)-8-(2-methoxypyrimidin-5-yl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379607) is 3-(2-hydroxyethyl)-8-(2-methoxypyrimidin-5-yl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-8-(2-methoxypyrimidin-5-yl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 3-(2-hydroxyethyl)-8-(2-methoxypyrimidin-5-yl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4CCO)cn1.
What is the InChIKey of 3-(2-hydroxyethyl)-8-(2-methoxypyrimidin-5-yl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is BQPUXKTVCMVYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O4/c1-30-20-23-10-13(11-24-20)15-2-3-16-18(25-15)19-17(12-22-16)26(6-7-28)21(29)27(19)14-4-8-31-9-5-14/h2-3,10-12,14,28H,4-9H2,1H3.
What are the key properties of 3-(2-hydroxyethyl)-8-(2-methoxypyrimidin-5-yl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
3-(2-hydroxyethyl)-8-(2-methoxypyrimidin-5-yl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 422.45 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-8-(2-methoxypyrimidin-5-yl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).