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

C19H21N5O — CID 129315479

IUPAC4-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine
SMILESCc1nc(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)[nH]c1C
InChIInChI=1S/C19H21N5O/c1-13-14(2)23-19(22-13)18-10-15(3-4-21-18)16-9-17(12-20-11-16)24-5-7-25-8-6-24/h3-4,9-12H,5-8H2,1-2H3,(H,22,23)
InChIKeyCOEQRGANBONEGF-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.99
Rot. Bonds3

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

4-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine (PubChem CID 129315479) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine
PubChem CID129315479
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name4-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine
SMILESCc1nc(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)[nH]c1C
InChIInChI=1S/C19H21N5O/c1-13-14(2)23-19(22-13)18-10-15(3-4-21-18)16-9-17(12-20-11-16)24-5-7-25-8-6-24/h3-4,9-12H,5-8H2,1-2H3,(H,22,23)
InChIKeyCOEQRGANBONEGF-UHFFFAOYSA-N
XLogP2.99
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine?
The IUPAC name of 4-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine (CID 129315479) is 4-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine is Cc1nc(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)[nH]c1C.
What is the InChIKey of 4-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine?
The InChIKey is COEQRGANBONEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-14(2)23-19(22-13)18-10-15(3-4-21-18)16-9-17(12-20-11-16)24-5-7-25-8-6-24/h3-4,9-12H,5-8H2,1-2H3,(H,22,23).
What are the key properties of 4-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine?
4-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine has a molecular weight of 335.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine is sourced from PubChem (CID 129315479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).