(3R)-3-amino-4-(2,5-difluorophenyl)-1-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)butan-1-one

C15H16F2N4O — CID 23647144

IUPAC(3R)-3-amino-4-(2,5-difluorophenyl)-1-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)butan-1-one
SMILESN[C@@H](CC(=O)N1CCn2nccc21)Cc1cc(F)ccc1F
InChIInChI=1S/C15H16F2N4O/c16-11-1-2-13(17)10(7-11)8-12(18)9-15(22)20-5-6-21-14(20)3-4-19-21/h1-4,7,12H,5-6,8-9,18H2/t12-/m1/s1
InChIKeyONDNTJVJKCMOFN-GFCCVEGCSA-N
MW306.32 g/mol
LogP1.47
Rot. Bonds4

About (3R)-3-amino-4-(2,5-difluorophenyl)-1-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)butan-1-one

(3R)-3-amino-4-(2,5-difluorophenyl)-1-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)butan-1-one (PubChem CID 23647144) has the molecular formula C15H16F2N4O and a molecular weight of 306.32 g/mol. Its IUPAC name is (3R)-3-amino-4-(2,5-difluorophenyl)-1-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)butan-1-one.

Molecular Properties

Compound Name(3R)-3-amino-4-(2,5-difluorophenyl)-1-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)butan-1-one
PubChem CID23647144
Molecular FormulaC15H16F2N4O
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name(3R)-3-amino-4-(2,5-difluorophenyl)-1-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)butan-1-one
SMILESN[C@@H](CC(=O)N1CCn2nccc21)Cc1cc(F)ccc1F
InChIInChI=1S/C15H16F2N4O/c16-11-1-2-13(17)10(7-11)8-12(18)9-15(22)20-5-6-21-14(20)3-4-19-21/h1-4,7,12H,5-6,8-9,18H2/t12-/m1/s1
InChIKeyONDNTJVJKCMOFN-GFCCVEGCSA-N
XLogP1.47
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(2,5-difluorophenyl)-1-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)butan-1-one?
The IUPAC name of (3R)-3-amino-4-(2,5-difluorophenyl)-1-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)butan-1-one (CID 23647144) is (3R)-3-amino-4-(2,5-difluorophenyl)-1-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)butan-1-one.
What is the SMILES notation for (3R)-3-amino-4-(2,5-difluorophenyl)-1-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)butan-1-one?
The canonical SMILES for (3R)-3-amino-4-(2,5-difluorophenyl)-1-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)butan-1-one is N[C@@H](CC(=O)N1CCn2nccc21)Cc1cc(F)ccc1F.
What is the InChIKey of (3R)-3-amino-4-(2,5-difluorophenyl)-1-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)butan-1-one?
The InChIKey is ONDNTJVJKCMOFN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16F2N4O/c16-11-1-2-13(17)10(7-11)8-12(18)9-15(22)20-5-6-21-14(20)3-4-19-21/h1-4,7,12H,5-6,8-9,18H2/t12-/m1/s1.
What are the key properties of (3R)-3-amino-4-(2,5-difluorophenyl)-1-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)butan-1-one?
(3R)-3-amino-4-(2,5-difluorophenyl)-1-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)butan-1-one has a molecular weight of 306.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(2,5-difluorophenyl)-1-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)butan-1-one is sourced from PubChem (CID 23647144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).