5-[4-(morpholine-4-carbonyl)phenyl]-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one

C24H23N5O3 — CID 126471041

IUPAC5-[4-(morpholine-4-carbonyl)phenyl]-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESC[C@@H](c1ccccc1)n1c(=O)[nH]c2ncc(-c3ccc(C(=O)N4CCOCC4)cc3)nc21
InChIInChI=1S/C24H23N5O3/c1-16(17-5-3-2-4-6-17)29-22-21(27-24(29)31)25-15-20(26-22)18-7-9-19(10-8-18)23(30)28-11-13-32-14-12-28/h2-10,15-16H,11-14H2,1H3,(H,25,27,31)/t16-/m0/s1
InChIKeyLOGYIJZZTRWMGJ-INIZCTEOSA-N
MW429.48 g/mol
LogP2.87
Rot. Bonds4

About 5-[4-(morpholine-4-carbonyl)phenyl]-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one

5-[4-(morpholine-4-carbonyl)phenyl]-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 126471041) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 5-[4-(morpholine-4-carbonyl)phenyl]-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-[4-(morpholine-4-carbonyl)phenyl]-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID126471041
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name5-[4-(morpholine-4-carbonyl)phenyl]-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESC[C@@H](c1ccccc1)n1c(=O)[nH]c2ncc(-c3ccc(C(=O)N4CCOCC4)cc3)nc21
InChIInChI=1S/C24H23N5O3/c1-16(17-5-3-2-4-6-17)29-22-21(27-24(29)31)25-15-20(26-22)18-7-9-19(10-8-18)23(30)28-11-13-32-14-12-28/h2-10,15-16H,11-14H2,1H3,(H,25,27,31)/t16-/m0/s1
InChIKeyLOGYIJZZTRWMGJ-INIZCTEOSA-N
XLogP2.87
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-(morpholine-4-carbonyl)phenyl]-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one with MolForge

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Related Compounds

N-[4-[2-oxo-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]phenyl]methanesulfonamide
CID 24985191
5-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one
CID 126472296
5-(2-hydroxypropan-2-yl)-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 66864057
[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone
CID 68775123
morpholin-4-yl-[6-[[(1R)-1-phenylpropyl]amino]-3-pyridinyl]methanone
CID 135087529
morpholin-4-yl-[4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]phenyl]methanone
CID 66594396
morpholin-4-yl-[4-(5-pentyl-2-pyridinyl)phenyl]methanone
CID 5104728
1-[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea
CID 70975031
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
morpholin-4-yl-[3-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]methanone
CID 85081614
1-[4-(morpholine-4-carbonyl)phenyl]-3-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea
CID 97257375
morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone
CID 32686320

Frequently Asked Questions

What is the IUPAC name of 5-[4-(morpholine-4-carbonyl)phenyl]-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-[4-(morpholine-4-carbonyl)phenyl]-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one (CID 126471041) is 5-[4-(morpholine-4-carbonyl)phenyl]-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-[4-(morpholine-4-carbonyl)phenyl]-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-[4-(morpholine-4-carbonyl)phenyl]-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one is C[C@@H](c1ccccc1)n1c(=O)[nH]c2ncc(-c3ccc(C(=O)N4CCOCC4)cc3)nc21.
What is the InChIKey of 5-[4-(morpholine-4-carbonyl)phenyl]-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is LOGYIJZZTRWMGJ-INIZCTEOSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-16(17-5-3-2-4-6-17)29-22-21(27-24(29)31)25-15-20(26-22)18-7-9-19(10-8-18)23(30)28-11-13-32-14-12-28/h2-10,15-16H,11-14H2,1H3,(H,25,27,31)/t16-/m0/s1.
What are the key properties of 5-[4-(morpholine-4-carbonyl)phenyl]-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one?
5-[4-(morpholine-4-carbonyl)phenyl]-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 429.48 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(morpholine-4-carbonyl)phenyl]-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 126471041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).