5-[4-(dimethylamino)phenyl]-1-phenyl-3H-imidazo[4,5-b]pyrazin-2-one

C19H17N5O — CID 126469664

IUPAC5-[4-(dimethylamino)phenyl]-1-phenyl-3H-imidazo[4,5-b]pyrazin-2-one
SMILESCN(C)c1ccc(-c2cnc3c(n2)[nH]c(=O)n3-c2ccccc2)cc1
InChIInChI=1S/C19H17N5O/c1-23(2)14-10-8-13(9-11-14)16-12-20-18-17(21-16)22-19(25)24(18)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,22,25)
InChIKeyWMAQIOSYVKNZSN-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.84
Rot. Bonds3

About 5-[4-(dimethylamino)phenyl]-1-phenyl-3H-imidazo[4,5-b]pyrazin-2-one

5-[4-(dimethylamino)phenyl]-1-phenyl-3H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 126469664) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-1-phenyl-3H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-1-phenyl-3H-imidazo[4,5-b]pyrazin-2-one
PubChem CID126469664
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name5-[4-(dimethylamino)phenyl]-1-phenyl-3H-imidazo[4,5-b]pyrazin-2-one
SMILESCN(C)c1ccc(-c2cnc3c(n2)[nH]c(=O)n3-c2ccccc2)cc1
InChIInChI=1S/C19H17N5O/c1-23(2)14-10-8-13(9-11-14)16-12-20-18-17(21-16)22-19(25)24(18)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,22,25)
InChIKeyWMAQIOSYVKNZSN-UHFFFAOYSA-N
XLogP2.84
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]-1-phenyl-3H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-1-phenyl-3H-imidazo[4,5-b]pyrazin-2-one (CID 126469664) is 5-[4-(dimethylamino)phenyl]-1-phenyl-3H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-1-phenyl-3H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-1-phenyl-3H-imidazo[4,5-b]pyrazin-2-one is CN(C)c1ccc(-c2cnc3c(n2)[nH]c(=O)n3-c2ccccc2)cc1.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-1-phenyl-3H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is WMAQIOSYVKNZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-23(2)14-10-8-13(9-11-14)16-12-20-18-17(21-16)22-19(25)24(18)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,22,25).
What are the key properties of 5-[4-(dimethylamino)phenyl]-1-phenyl-3H-imidazo[4,5-b]pyrazin-2-one?
5-[4-(dimethylamino)phenyl]-1-phenyl-3H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 331.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-1-phenyl-3H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 126469664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).