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

C20H23N5O — CID 129315475

IUPAC4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine
SMILESCC(C)c1cnc(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)[nH]1
InChIInChI=1S/C20H23N5O/c1-14(2)19-13-23-20(24-19)18-10-15(3-4-22-18)16-9-17(12-21-11-16)25-5-7-26-8-6-25/h3-4,9-14H,5-8H2,1-2H3,(H,23,24)
InChIKeyXVWXUXBVSRYQTB-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.49
Rot. Bonds4

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

4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine (PubChem CID 129315475) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine
PubChem CID129315475
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine
SMILESCC(C)c1cnc(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)[nH]1
InChIInChI=1S/C20H23N5O/c1-14(2)19-13-23-20(24-19)18-10-15(3-4-22-18)16-9-17(12-21-11-16)25-5-7-26-8-6-25/h3-4,9-14H,5-8H2,1-2H3,(H,23,24)
InChIKeyXVWXUXBVSRYQTB-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
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-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine?
The IUPAC name of 4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine (CID 129315475) is 4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine is CC(C)c1cnc(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)[nH]1.
What is the InChIKey of 4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine?
The InChIKey is XVWXUXBVSRYQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14(2)19-13-23-20(24-19)18-10-15(3-4-22-18)16-9-17(12-21-11-16)25-5-7-26-8-6-25/h3-4,9-14H,5-8H2,1-2H3,(H,23,24).
What are the key properties of 4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine?
4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine has a molecular weight of 349.44 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine is sourced from PubChem (CID 129315475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).