2-methoxy-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]ethanamine

C22H28N6O2 — CID 129315473

IUPAC2-methoxy-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1nc(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)[nH]c1C
InChIInChI=1S/C22H28N6O2/c1-16-21(15-23-5-8-29-2)27-22(26-16)20-12-17(3-4-25-20)18-11-19(14-24-13-18)28-6-9-30-10-7-28/h3-4,11-14,23H,5-10,15H2,1-2H3,(H,26,27)
InChIKeyFLWSBJSAQRZGFS-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.41
Rot. Bonds8

About 2-methoxy-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]ethanamine

2-methoxy-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]ethanamine (PubChem CID 129315473) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 2-methoxy-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]ethanamine
PubChem CID129315473
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name2-methoxy-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1nc(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)[nH]c1C
InChIInChI=1S/C22H28N6O2/c1-16-21(15-23-5-8-29-2)27-22(26-16)20-12-17(3-4-25-20)18-11-19(14-24-13-18)28-6-9-30-10-7-28/h3-4,11-14,23H,5-10,15H2,1-2H3,(H,26,27)
InChIKeyFLWSBJSAQRZGFS-UHFFFAOYSA-N
XLogP2.41
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]ethanamine (CID 129315473) is 2-methoxy-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]ethanamine is COCCNCc1nc(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)[nH]c1C.
What is the InChIKey of 2-methoxy-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]ethanamine?
The InChIKey is FLWSBJSAQRZGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-16-21(15-23-5-8-29-2)27-22(26-16)20-12-17(3-4-25-20)18-11-19(14-24-13-18)28-6-9-30-10-7-28/h3-4,11-14,23H,5-10,15H2,1-2H3,(H,26,27).
What are the key properties of 2-methoxy-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]ethanamine has a molecular weight of 408.51 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 129315473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).