3-[8-morpholin-4-yl-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]phenol

C21H25N5O3 — CID 57394839

IUPAC3-[8-morpholin-4-yl-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]phenol
SMILESOc1cccc(-c2cn3cc(CN4CCOCC4)nc3c(N3CCOCC3)n2)c1
InChIInChI=1S/C21H25N5O3/c27-18-3-1-2-16(12-18)19-15-26-14-17(13-24-4-8-28-9-5-24)22-20(26)21(23-19)25-6-10-29-11-7-25/h1-3,12,14-15,27H,4-11,13H2
InChIKeyOSASKJVSIDWLGT-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.77
Rot. Bonds4

About 3-[8-morpholin-4-yl-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]phenol

3-[8-morpholin-4-yl-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]phenol (PubChem CID 57394839) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-[8-morpholin-4-yl-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]phenol.

Molecular Properties

Compound Name3-[8-morpholin-4-yl-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]phenol
PubChem CID57394839
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name3-[8-morpholin-4-yl-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]phenol
SMILESOc1cccc(-c2cn3cc(CN4CCOCC4)nc3c(N3CCOCC3)n2)c1
InChIInChI=1S/C21H25N5O3/c27-18-3-1-2-16(12-18)19-15-26-14-17(13-24-4-8-28-9-5-24)22-20(26)21(23-19)25-6-10-29-11-7-25/h1-3,12,14-15,27H,4-11,13H2
InChIKeyOSASKJVSIDWLGT-UHFFFAOYSA-N
XLogP1.77
TPSA75.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[8-morpholin-4-yl-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]phenol?
The IUPAC name of 3-[8-morpholin-4-yl-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]phenol (CID 57394839) is 3-[8-morpholin-4-yl-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]phenol.
What is the SMILES notation for 3-[8-morpholin-4-yl-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]phenol?
The canonical SMILES for 3-[8-morpholin-4-yl-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]phenol is Oc1cccc(-c2cn3cc(CN4CCOCC4)nc3c(N3CCOCC3)n2)c1.
What is the InChIKey of 3-[8-morpholin-4-yl-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]phenol?
The InChIKey is OSASKJVSIDWLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c27-18-3-1-2-16(12-18)19-15-26-14-17(13-24-4-8-28-9-5-24)22-20(26)21(23-19)25-6-10-29-11-7-25/h1-3,12,14-15,27H,4-11,13H2.
What are the key properties of 3-[8-morpholin-4-yl-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]phenol?
3-[8-morpholin-4-yl-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]phenol has a molecular weight of 395.46 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-morpholin-4-yl-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]phenol is sourced from PubChem (CID 57394839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).