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

C23H28N6O4 — CID 24866867

IUPAC4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc2ncc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1
InChIInChI=1S/C23H28N6O4/c1-31-21-3-2-18-23(27-21)29(22(30)15-26-18)9-8-28-6-4-16(5-7-28)24-13-17-12-19-20(14-25-17)33-11-10-32-19/h2-3,12,14-16,24H,4-11,13H2,1H3
InChIKeyWCBQIGVMQVCDAV-UHFFFAOYSA-N
MW452.52 g/mol
LogP1.22
Rot. Bonds7

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

4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one (PubChem CID 24866867) has the molecular formula C23H28N6O4 and a molecular weight of 452.52 g/mol. Its IUPAC name is 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one
PubChem CID24866867
Molecular FormulaC23H28N6O4
Molecular Weight452.52 g/mol
Exact Mass452.22
IUPAC Name4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc2ncc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1
InChIInChI=1S/C23H28N6O4/c1-31-21-3-2-18-23(27-21)29(22(30)15-26-18)9-8-28-6-4-16(5-7-28)24-13-17-12-19-20(14-25-17)33-11-10-32-19/h2-3,12,14-16,24H,4-11,13H2,1H3
InChIKeyWCBQIGVMQVCDAV-UHFFFAOYSA-N
XLogP1.22
TPSA103.63 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-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-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one (CID 24866867) is 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one is COc1ccc2ncc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1.
What is the InChIKey of 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?
The InChIKey is WCBQIGVMQVCDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4/c1-31-21-3-2-18-23(27-21)29(22(30)15-26-18)9-8-28-6-4-16(5-7-28)24-13-17-12-19-20(14-25-17)33-11-10-32-19/h2-3,12,14-16,24H,4-11,13H2,1H3.
What are the key properties of 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?
4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one has a molecular weight of 452.52 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 24866867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).