5-methyl-2-(morpholin-4-ylmethyl)-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one

C24H29N3O5 — CID 86299591

IUPAC5-methyl-2-(morpholin-4-ylmethyl)-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one
SMILESCn1cc(-c2ccnc(OCC3CCOCC3)c2)c2oc(CN3CCOCC3)cc2c1=O
InChIInChI=1S/C24H29N3O5/c1-26-15-21(18-2-5-25-22(12-18)31-16-17-3-8-29-9-4-17)23-20(24(26)28)13-19(32-23)14-27-6-10-30-11-7-27/h2,5,12-13,15,17H,3-4,6-11,14,16H2,1H3
InChIKeyFDLRRZYLHCNCKI-UHFFFAOYSA-N
MW439.51 g/mol
LogP2.83
Rot. Bonds6

About 5-methyl-2-(morpholin-4-ylmethyl)-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one

5-methyl-2-(morpholin-4-ylmethyl)-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one (PubChem CID 86299591) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is 5-methyl-2-(morpholin-4-ylmethyl)-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-methyl-2-(morpholin-4-ylmethyl)-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one
PubChem CID86299591
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Name5-methyl-2-(morpholin-4-ylmethyl)-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one
SMILESCn1cc(-c2ccnc(OCC3CCOCC3)c2)c2oc(CN3CCOCC3)cc2c1=O
InChIInChI=1S/C24H29N3O5/c1-26-15-21(18-2-5-25-22(12-18)31-16-17-3-8-29-9-4-17)23-20(24(26)28)13-19(32-23)14-27-6-10-30-11-7-27/h2,5,12-13,15,17H,3-4,6-11,14,16H2,1H3
InChIKeyFDLRRZYLHCNCKI-UHFFFAOYSA-N
XLogP2.83
TPSA78.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(morpholin-4-ylmethyl)-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one?
The IUPAC name of 5-methyl-2-(morpholin-4-ylmethyl)-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one (CID 86299591) is 5-methyl-2-(morpholin-4-ylmethyl)-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-methyl-2-(morpholin-4-ylmethyl)-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one?
The canonical SMILES for 5-methyl-2-(morpholin-4-ylmethyl)-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one is Cn1cc(-c2ccnc(OCC3CCOCC3)c2)c2oc(CN3CCOCC3)cc2c1=O.
What is the InChIKey of 5-methyl-2-(morpholin-4-ylmethyl)-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one?
The InChIKey is FDLRRZYLHCNCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-26-15-21(18-2-5-25-22(12-18)31-16-17-3-8-29-9-4-17)23-20(24(26)28)13-19(32-23)14-27-6-10-30-11-7-27/h2,5,12-13,15,17H,3-4,6-11,14,16H2,1H3.
What are the key properties of 5-methyl-2-(morpholin-4-ylmethyl)-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one?
5-methyl-2-(morpholin-4-ylmethyl)-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one has a molecular weight of 439.51 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(morpholin-4-ylmethyl)-7-[2-(oxan-4-ylmethoxy)-4-pyridinyl]furo[3,2-c]pyridin-4-one is sourced from PubChem (CID 86299591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).