4-[3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-7-yl]-6-methoxypyrido[2,3-b]pyrazin-3-one

C24H22N6O5 — CID 25101119

IUPAC4-[3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-7-yl]-6-methoxypyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc2ncc(=O)n(-c3cnc4c(c3)OCC(NCc3cc5c(cn3)OCCO5)C4)c2n1
InChIInChI=1S/C24H22N6O5/c1-32-22-3-2-17-24(29-22)30(23(31)12-28-17)16-8-19-18(27-10-16)6-15(13-35-19)25-9-14-7-20-21(11-26-14)34-5-4-33-20/h2-3,7-8,10-12,15,25H,4-6,9,13H2,1H3
InChIKeyYQRIKHWPMVRQRM-UHFFFAOYSA-N
MW474.48 g/mol
LogP1.44
Rot. Bonds5

About 4-[3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-7-yl]-6-methoxypyrido[2,3-b]pyrazin-3-one

4-[3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-7-yl]-6-methoxypyrido[2,3-b]pyrazin-3-one (PubChem CID 25101119) has the molecular formula C24H22N6O5 and a molecular weight of 474.48 g/mol. Its IUPAC name is 4-[3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-7-yl]-6-methoxypyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-[3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-7-yl]-6-methoxypyrido[2,3-b]pyrazin-3-one
PubChem CID25101119
Molecular FormulaC24H22N6O5
Molecular Weight474.48 g/mol
Exact Mass474.17
IUPAC Name4-[3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-7-yl]-6-methoxypyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc2ncc(=O)n(-c3cnc4c(c3)OCC(NCc3cc5c(cn3)OCCO5)C4)c2n1
InChIInChI=1S/C24H22N6O5/c1-32-22-3-2-17-24(29-22)30(23(31)12-28-17)16-8-19-18(27-10-16)6-15(13-35-19)25-9-14-7-20-21(11-26-14)34-5-4-33-20/h2-3,7-8,10-12,15,25H,4-6,9,13H2,1H3
InChIKeyYQRIKHWPMVRQRM-UHFFFAOYSA-N
XLogP1.44
TPSA122.51 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.48
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-[3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-7-yl]-6-methoxypyrido[2,3-b]pyrazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-7-yl]-6-methoxypyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-[3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-7-yl]-6-methoxypyrido[2,3-b]pyrazin-3-one (CID 25101119) is 4-[3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-7-yl]-6-methoxypyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-[3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-7-yl]-6-methoxypyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-[3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-7-yl]-6-methoxypyrido[2,3-b]pyrazin-3-one is COc1ccc2ncc(=O)n(-c3cnc4c(c3)OCC(NCc3cc5c(cn3)OCCO5)C4)c2n1.
What is the InChIKey of 4-[3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-7-yl]-6-methoxypyrido[2,3-b]pyrazin-3-one?
The InChIKey is YQRIKHWPMVRQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O5/c1-32-22-3-2-17-24(29-22)30(23(31)12-28-17)16-8-19-18(27-10-16)6-15(13-35-19)25-9-14-7-20-21(11-26-14)34-5-4-33-20/h2-3,7-8,10-12,15,25H,4-6,9,13H2,1H3.
What are the key properties of 4-[3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-7-yl]-6-methoxypyrido[2,3-b]pyrazin-3-one?
4-[3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-7-yl]-6-methoxypyrido[2,3-b]pyrazin-3-one has a molecular weight of 474.48 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-7-yl]-6-methoxypyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 25101119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).