4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine

C23H25N5O2 — CID 135876509

IUPAC4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine
SMILESc1ccc(Cn2ncc3[nH]c(-c4ccccc4OCCN4CCOCC4)nc32)cc1
InChIInChI=1S/C23H25N5O2/c1-2-6-18(7-3-1)17-28-23-20(16-24-28)25-22(26-23)19-8-4-5-9-21(19)30-15-12-27-10-13-29-14-11-27/h1-9,16H,10-15,17H2,(H,25,26)
InChIKeyWMETXWBOGZVWJY-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.19
Rot. Bonds7

About 4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine

4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine (PubChem CID 135876509) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine
PubChem CID135876509
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine
SMILESc1ccc(Cn2ncc3[nH]c(-c4ccccc4OCCN4CCOCC4)nc32)cc1
InChIInChI=1S/C23H25N5O2/c1-2-6-18(7-3-1)17-28-23-20(16-24-28)25-22(26-23)19-8-4-5-9-21(19)30-15-12-27-10-13-29-14-11-27/h1-9,16H,10-15,17H2,(H,25,26)
InChIKeyWMETXWBOGZVWJY-UHFFFAOYSA-N
XLogP3.19
TPSA68.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine (CID 135876509) is 4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine is c1ccc(Cn2ncc3[nH]c(-c4ccccc4OCCN4CCOCC4)nc32)cc1.
What is the InChIKey of 4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine?
The InChIKey is WMETXWBOGZVWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-2-6-18(7-3-1)17-28-23-20(16-24-28)25-22(26-23)19-8-4-5-9-21(19)30-15-12-27-10-13-29-14-11-27/h1-9,16H,10-15,17H2,(H,25,26).
What are the key properties of 4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine?
4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine has a molecular weight of 403.49 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine is sourced from PubChem (CID 135876509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).