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

C23H21F5N4O2 — CID 10162830

IUPAC(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one
SMILESN[C@@H](CC(=O)N1CCn2cc(-c3ccc(OC(F)(F)F)cc3)nc2C1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C23H21F5N4O2/c24-18-6-1-14(10-19(18)25)9-16(29)11-22(33)32-8-7-31-12-20(30-21(31)13-32)15-2-4-17(5-3-15)34-23(26,27)28/h1-6,10,12,16H,7-9,11,13,29H2/t16-/m1/s1
InChIKeyKVAOKIIANUIZCH-MRXNPFEDSA-N
MW480.44 g/mol
LogP4.03
Rot. Bonds6

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

(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one (PubChem CID 10162830) has the molecular formula C23H21F5N4O2 and a molecular weight of 480.44 g/mol. Its IUPAC name is (3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one.

Molecular Properties

Compound Name(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one
PubChem CID10162830
Molecular FormulaC23H21F5N4O2
Molecular Weight480.44 g/mol
Exact Mass480.16
IUPAC Name(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one
SMILESN[C@@H](CC(=O)N1CCn2cc(-c3ccc(OC(F)(F)F)cc3)nc2C1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C23H21F5N4O2/c24-18-6-1-14(10-19(18)25)9-16(29)11-22(33)32-8-7-31-12-20(30-21(31)13-32)15-2-4-17(5-3-15)34-23(26,27)28/h1-6,10,12,16H,7-9,11,13,29H2/t16-/m1/s1
InChIKeyKVAOKIIANUIZCH-MRXNPFEDSA-N
XLogP4.03
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one?
The IUPAC name of (3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one (CID 10162830) is (3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one.
What is the SMILES notation for (3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one?
The canonical SMILES for (3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one is N[C@@H](CC(=O)N1CCn2cc(-c3ccc(OC(F)(F)F)cc3)nc2C1)Cc1ccc(F)c(F)c1.
What is the InChIKey of (3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one?
The InChIKey is KVAOKIIANUIZCH-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H21F5N4O2/c24-18-6-1-14(10-19(18)25)9-16(29)11-22(33)32-8-7-31-12-20(30-21(31)13-32)15-2-4-17(5-3-15)34-23(26,27)28/h1-6,10,12,16H,7-9,11,13,29H2/t16-/m1/s1.
What are the key properties of (3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one?
(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one has a molecular weight of 480.44 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one is sourced from PubChem (CID 10162830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).