4-[2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one

C22H25N5O7 — CID 164613146

IUPAC4-[2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc2ncc(=O)n(CC(O)C3OCC(NCc4cc5c(cn4)OCCO5)CO3)c2n1
InChIInChI=1S/C22H25N5O7/c1-30-19-3-2-15-21(26-19)27(20(29)9-25-15)10-16(28)22-33-11-14(12-34-22)23-7-13-6-17-18(8-24-13)32-5-4-31-17/h2-3,6,8-9,14,16,22-23,28H,4-5,7,10-12H2,1H3
InChIKeyACCKRUPDYNOTMI-UHFFFAOYSA-N
MW471.47 g/mol
LogP-0.14
Rot. Bonds7

About 4-[2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one

4-[2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one (PubChem CID 164613146) has the molecular formula C22H25N5O7 and a molecular weight of 471.47 g/mol. Its IUPAC name is 4-[2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-[2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one
PubChem CID164613146
Molecular FormulaC22H25N5O7
Molecular Weight471.47 g/mol
Exact Mass471.18
IUPAC Name4-[2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc2ncc(=O)n(CC(O)C3OCC(NCc4cc5c(cn4)OCCO5)CO3)c2n1
InChIInChI=1S/C22H25N5O7/c1-30-19-3-2-15-21(26-19)27(20(29)9-25-15)10-16(28)22-33-11-14(12-34-22)23-7-13-6-17-18(8-24-13)32-5-4-31-17/h2-3,6,8-9,14,16,22-23,28H,4-5,7,10-12H2,1H3
InChIKeyACCKRUPDYNOTMI-UHFFFAOYSA-N
XLogP-0.14
TPSA139.08 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.47
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 4-[2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-[2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one (CID 164613146) is 4-[2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-[2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-[2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one is COc1ccc2ncc(=O)n(CC(O)C3OCC(NCc4cc5c(cn4)OCCO5)CO3)c2n1.
What is the InChIKey of 4-[2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?
The InChIKey is ACCKRUPDYNOTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O7/c1-30-19-3-2-15-21(26-19)27(20(29)9-25-15)10-16(28)22-33-11-14(12-34-22)23-7-13-6-17-18(8-24-13)32-5-4-31-17/h2-3,6,8-9,14,16,22-23,28H,4-5,7,10-12H2,1H3.
What are the key properties of 4-[2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?
4-[2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one has a molecular weight of 471.47 g/mol, XLogP of -0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 164613146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).