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

C23H24F2N4O2 — CID 10113242

IUPAC(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one
SMILESCOc1ccc(-c2cn3c(n2)CN(C(=O)C[C@H](N)Cc2ccc(F)c(F)c2)CC3)cc1
InChIInChI=1S/C23H24F2N4O2/c1-31-18-5-3-16(4-6-18)21-13-28-8-9-29(14-22(28)27-21)23(30)12-17(26)10-15-2-7-19(24)20(25)11-15/h2-7,11,13,17H,8-10,12,14,26H2,1H3/t17-/m1/s1
InChIKeyJPYIVGAUEOJNOD-QGZVFWFLSA-N
MW426.47 g/mol
LogP3.14
Rot. Bonds6

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

(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one (PubChem CID 10113242) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is (3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)-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-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one
PubChem CID10113242
Molecular FormulaC23H24F2N4O2
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one
SMILESCOc1ccc(-c2cn3c(n2)CN(C(=O)C[C@H](N)Cc2ccc(F)c(F)c2)CC3)cc1
InChIInChI=1S/C23H24F2N4O2/c1-31-18-5-3-16(4-6-18)21-13-28-8-9-29(14-22(28)27-21)23(30)12-17(26)10-15-2-7-19(24)20(25)11-15/h2-7,11,13,17H,8-10,12,14,26H2,1H3/t17-/m1/s1
InChIKeyJPYIVGAUEOJNOD-QGZVFWFLSA-N
XLogP3.14
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)-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-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one (CID 10113242) is (3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one is COc1ccc(-c2cn3c(n2)CN(C(=O)C[C@H](N)Cc2ccc(F)c(F)c2)CC3)cc1.
What is the InChIKey of (3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one?
The InChIKey is JPYIVGAUEOJNOD-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c1-31-18-5-3-16(4-6-18)21-13-28-8-9-29(14-22(28)27-21)23(30)12-17(26)10-15-2-7-19(24)20(25)11-15/h2-7,11,13,17H,8-10,12,14,26H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one?
(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one has a molecular weight of 426.47 g/mol, XLogP of 3.14, 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-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one is sourced from PubChem (CID 10113242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).