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

C18H19N5O — CID 129315470

IUPAC4-[5-[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine
SMILESCc1cnc(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)[nH]1
InChIInChI=1S/C18H19N5O/c1-13-10-21-18(22-13)17-9-14(2-3-20-17)15-8-16(12-19-11-15)23-4-6-24-7-5-23/h2-3,8-12H,4-7H2,1H3,(H,21,22)
InChIKeyOROBAEAWYJVOBV-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.68
Rot. Bonds3

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

4-[5-[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine (PubChem CID 129315470) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[5-[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine
PubChem CID129315470
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name4-[5-[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine
SMILESCc1cnc(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)[nH]1
InChIInChI=1S/C18H19N5O/c1-13-10-21-18(22-13)17-9-14(2-3-20-17)15-8-16(12-19-11-15)23-4-6-24-7-5-23/h2-3,8-12H,4-7H2,1H3,(H,21,22)
InChIKeyOROBAEAWYJVOBV-UHFFFAOYSA-N
XLogP2.68
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine?
The IUPAC name of 4-[5-[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine (CID 129315470) is 4-[5-[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine is Cc1cnc(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)[nH]1.
What is the InChIKey of 4-[5-[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine?
The InChIKey is OROBAEAWYJVOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-10-21-18(22-13)17-9-14(2-3-20-17)15-8-16(12-19-11-15)23-4-6-24-7-5-23/h2-3,8-12H,4-7H2,1H3,(H,21,22).
What are the key properties of 4-[5-[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine?
4-[5-[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine has a molecular weight of 321.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine is sourced from PubChem (CID 129315470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).