[5-[5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-morpholin-4-ylmethanone

C24H23N7O3 — CID 121433059

IUPAC[5-[5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1)N1CCOCC1
InChIInChI=1S/C24H23N7O3/c32-23(30-7-10-33-11-8-30)20-5-4-17(12-25-20)19-14-27-24(31-15-28-29-22(19)31)26-13-16-2-1-3-21-18(16)6-9-34-21/h1-5,12,14-15H,6-11,13H2,(H,26,27)
InChIKeyCHBIMHAOFODBNR-UHFFFAOYSA-N
MW457.49 g/mol
LogP2.21
Rot. Bonds5

About [5-[5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-morpholin-4-ylmethanone

[5-[5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 121433059) has the molecular formula C24H23N7O3 and a molecular weight of 457.49 g/mol. Its IUPAC name is [5-[5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID121433059
Molecular FormulaC24H23N7O3
Molecular Weight457.49 g/mol
Exact Mass457.19
IUPAC Name[5-[5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1)N1CCOCC1
InChIInChI=1S/C24H23N7O3/c32-23(30-7-10-33-11-8-30)20-5-4-17(12-25-20)19-14-27-24(31-15-28-29-22(19)31)26-13-16-2-1-3-21-18(16)6-9-34-21/h1-5,12,14-15H,6-11,13H2,(H,26,27)
InChIKeyCHBIMHAOFODBNR-UHFFFAOYSA-N
XLogP2.21
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [5-[5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-morpholin-4-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-[5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-morpholin-4-ylmethanone (CID 121433059) is [5-[5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)cn1)N1CCOCC1.
What is the InChIKey of [5-[5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is CHBIMHAOFODBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3/c32-23(30-7-10-33-11-8-30)20-5-4-17(12-25-20)19-14-27-24(31-15-28-29-22(19)31)26-13-16-2-1-3-21-18(16)6-9-34-21/h1-5,12,14-15H,6-11,13H2,(H,26,27).
What are the key properties of [5-[5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
[5-[5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 457.49 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 121433059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).