4-[5-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine

C20H23N5O — CID 129315393

IUPAC4-[5-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine
SMILESCCc1nc(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)[nH]c1C
InChIInChI=1S/C20H23N5O/c1-3-18-14(2)23-20(24-18)19-11-15(4-5-22-19)16-10-17(13-21-12-16)25-6-8-26-9-7-25/h4-5,10-13H,3,6-9H2,1-2H3,(H,23,24)
InChIKeyZROMYDRTXVSXQU-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.24
Rot. Bonds4

About 4-[5-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine

4-[5-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine (PubChem CID 129315393) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[5-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine
PubChem CID129315393
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name4-[5-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine
SMILESCCc1nc(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)[nH]c1C
InChIInChI=1S/C20H23N5O/c1-3-18-14(2)23-20(24-18)19-11-15(4-5-22-19)16-10-17(13-21-12-16)25-6-8-26-9-7-25/h4-5,10-13H,3,6-9H2,1-2H3,(H,23,24)
InChIKeyZROMYDRTXVSXQU-UHFFFAOYSA-N
XLogP3.24
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine?
The IUPAC name of 4-[5-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine (CID 129315393) is 4-[5-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine is CCc1nc(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)[nH]c1C.
What is the InChIKey of 4-[5-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine?
The InChIKey is ZROMYDRTXVSXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-3-18-14(2)23-20(24-18)19-11-15(4-5-22-19)16-10-17(13-21-12-16)25-6-8-26-9-7-25/h4-5,10-13H,3,6-9H2,1-2H3,(H,23,24).
What are the key properties of 4-[5-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine?
4-[5-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine has a molecular weight of 349.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine is sourced from PubChem (CID 129315393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).