cyclopropyl-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid

C19H24F3N7O3 — CID 155842309

IUPACcyclopropyl-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCN(C)c1cc(NCc2cn3c(n2)CN(C(=O)C2CC2)CC3)ncn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N7O.C2HF3O2/c1-22(2)15-7-14(19-11-20-15)18-8-13-9-23-5-6-24(10-16(23)21-13)17(25)12-3-4-12;3-2(4,5)1(6)7/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,18,19,20);(H,6,7)
InChIKeyYYKWAGBWBNBYKJ-UHFFFAOYSA-N
MW455.44 g/mol
LogP1.74
Rot. Bonds5

About cyclopropyl-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid

cyclopropyl-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155842309) has the molecular formula C19H24F3N7O3 and a molecular weight of 455.44 g/mol. Its IUPAC name is cyclopropyl-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namecyclopropyl-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155842309
Molecular FormulaC19H24F3N7O3
Molecular Weight455.44 g/mol
Exact Mass455.19
IUPAC Namecyclopropyl-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCN(C)c1cc(NCc2cn3c(n2)CN(C(=O)C2CC2)CC3)ncn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N7O.C2HF3O2/c1-22(2)15-7-14(19-11-20-15)18-8-13-9-23-5-6-24(10-16(23)21-13)17(25)12-3-4-12;3-2(4,5)1(6)7/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,18,19,20);(H,6,7)
InChIKeyYYKWAGBWBNBYKJ-UHFFFAOYSA-N
XLogP1.74
TPSA116.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze cyclopropyl-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of cyclopropyl-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid (CID 155842309) is cyclopropyl-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for cyclopropyl-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for cyclopropyl-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid is CN(C)c1cc(NCc2cn3c(n2)CN(C(=O)C2CC2)CC3)ncn1.O=C(O)C(F)(F)F.
What is the InChIKey of cyclopropyl-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is YYKWAGBWBNBYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O.C2HF3O2/c1-22(2)15-7-14(19-11-20-15)18-8-13-9-23-5-6-24(10-16(23)21-13)17(25)12-3-4-12;3-2(4,5)1(6)7/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,18,19,20);(H,6,7).
What are the key properties of cyclopropyl-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid?
cyclopropyl-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 455.44 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155842309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).