3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one

C25H26FN5O5 — CID 78121977

IUPAC3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one
SMILESCOc1ccc2ncc(F)c(CCN3CCC4CN(c5cc6c(cn5)OCCO6)C(=O)OC4C3)c2n1
InChIInChI=1S/C25H26FN5O5/c1-33-23-3-2-18-24(29-23)16(17(26)11-27-18)5-7-30-6-4-15-13-31(25(32)36-21(15)14-30)22-10-19-20(12-28-22)35-9-8-34-19/h2-3,10-12,15,21H,4-9,13-14H2,1H3
InChIKeyNXPQJEZHNWIVQV-UHFFFAOYSA-N
MW495.51 g/mol
LogP2.83
Rot. Bonds5

About 3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one

3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one (PubChem CID 78121977) has the molecular formula C25H26FN5O5 and a molecular weight of 495.51 g/mol. Its IUPAC name is 3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one.

Molecular Properties

Compound Name3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one
PubChem CID78121977
Molecular FormulaC25H26FN5O5
Molecular Weight495.51 g/mol
Exact Mass495.19
IUPAC Name3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one
SMILESCOc1ccc2ncc(F)c(CCN3CCC4CN(c5cc6c(cn5)OCCO6)C(=O)OC4C3)c2n1
InChIInChI=1S/C25H26FN5O5/c1-33-23-3-2-18-24(29-23)16(17(26)11-27-18)5-7-30-6-4-15-13-31(25(32)36-21(15)14-30)22-10-19-20(12-28-22)35-9-8-34-19/h2-3,10-12,15,21H,4-9,13-14H2,1H3
InChIKeyNXPQJEZHNWIVQV-UHFFFAOYSA-N
XLogP2.83
TPSA99.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one?
The IUPAC name of 3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one (CID 78121977) is 3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one.
What is the SMILES notation for 3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one?
The canonical SMILES for 3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one is COc1ccc2ncc(F)c(CCN3CCC4CN(c5cc6c(cn5)OCCO6)C(=O)OC4C3)c2n1.
What is the InChIKey of 3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one?
The InChIKey is NXPQJEZHNWIVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O5/c1-33-23-3-2-18-24(29-23)16(17(26)11-27-18)5-7-30-6-4-15-13-31(25(32)36-21(15)14-30)22-10-19-20(12-28-22)35-9-8-34-19/h2-3,10-12,15,21H,4-9,13-14H2,1H3.
What are the key properties of 3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one?
3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one has a molecular weight of 495.51 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one is sourced from PubChem (CID 78121977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).