(3R)-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbutan-1-one

C17H19F2N3O — CID 146866511

IUPAC(3R)-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbutan-1-one
SMILESC[C@@H](CC(=O)N1CCn2ccnc2C1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2N3O/c1-12(8-13-2-3-14(18)15(19)10-13)9-17(23)22-7-6-21-5-4-20-16(21)11-22/h2-5,10,12H,6-9,11H2,1H3/t12-/m1/s1
InChIKeySMDWQFMXHRLRFV-GFCCVEGCSA-N
MW319.36 g/mol
LogP2.77
Rot. Bonds4

About (3R)-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbutan-1-one

(3R)-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbutan-1-one (PubChem CID 146866511) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is (3R)-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name(3R)-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbutan-1-one
PubChem CID146866511
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name(3R)-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbutan-1-one
SMILESC[C@@H](CC(=O)N1CCn2ccnc2C1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2N3O/c1-12(8-13-2-3-14(18)15(19)10-13)9-17(23)22-7-6-21-5-4-20-16(21)11-22/h2-5,10,12H,6-9,11H2,1H3/t12-/m1/s1
InChIKeySMDWQFMXHRLRFV-GFCCVEGCSA-N
XLogP2.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Imidafenacin
CID 6433090
2,2-Diphenyl-4-(2-propan-2-ylimidazol-1-yl)butanamide
CID 10043307
5-(2-Methylimidazol-1-yl)-2,2-diphenylpentanamide
CID 10359485
2,2-Diphenyl-4-(2-propylimidazol-1-yl)butanamide
CID 9928249
4-(2-Tert-butylimidazol-1-yl)-2,2-diphenylbutanamide
CID 15491327
2,2-Bis(4-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide
CID 15491328
4-(2,3-Dimethylimidazol-3-ium-1-yl)-2,2-diphenylbutanamide iodide
CID 15516742
4-(2-Ethylimidazol-1-yl)-2,2-diphenylbutanamide
CID 15871722
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N-methyl-6-oxo-1-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24818903
N,N-dimethyl-4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide
CID 44308675
2-Cyclohexyl-4-(2-methylimidazol-1-yl)-2-phenylbutanamide
CID 44308816
3-Methyl-2-[2-(2-methylimidazol-1-yl)ethyl]-2-phenylbutanamide
CID 44308817

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbutan-1-one?
The IUPAC name of (3R)-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbutan-1-one (CID 146866511) is (3R)-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbutan-1-one.
What is the SMILES notation for (3R)-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbutan-1-one?
The canonical SMILES for (3R)-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbutan-1-one is C[C@@H](CC(=O)N1CCn2ccnc2C1)Cc1ccc(F)c(F)c1.
What is the InChIKey of (3R)-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbutan-1-one?
The InChIKey is SMDWQFMXHRLRFV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-12(8-13-2-3-14(18)15(19)10-13)9-17(23)22-7-6-21-5-4-20-16(21)11-22/h2-5,10,12H,6-9,11H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbutan-1-one?
(3R)-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbutan-1-one has a molecular weight of 319.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbutan-1-one is sourced from PubChem (CID 146866511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).