2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid

C20H29F3N6O3 — CID 155832237

IUPAC2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(CN2CCn3cc(CC(=O)NC(C)C)nc3C2C)n(C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H28N6O.C2HF3O2/c1-12(2)19-17(25)9-15-10-24-7-6-23(14(4)18(24)20-15)11-16-8-13(3)21-22(16)5;3-2(4,5)1(6)7/h8,10,12,14H,6-7,9,11H2,1-5H3,(H,19,25);(H,6,7)
InChIKeyGTTXQKTXCIUYSD-UHFFFAOYSA-N
MW458.49 g/mol
LogP2.20
Rot. Bonds5

About 2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid

2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 155832237) has the molecular formula C20H29F3N6O3 and a molecular weight of 458.49 g/mol. Its IUPAC name is 2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid
PubChem CID155832237
Molecular FormulaC20H29F3N6O3
Molecular Weight458.49 g/mol
Exact Mass458.23
IUPAC Name2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(CN2CCn3cc(CC(=O)NC(C)C)nc3C2C)n(C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H28N6O.C2HF3O2/c1-12(2)19-17(25)9-15-10-24-7-6-23(14(4)18(24)20-15)11-16-8-13(3)21-22(16)5;3-2(4,5)1(6)7/h8,10,12,14H,6-7,9,11H2,1-5H3,(H,19,25);(H,6,7)
InChIKeyGTTXQKTXCIUYSD-UHFFFAOYSA-N
XLogP2.20
TPSA105.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid (CID 155832237) is 2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid is Cc1cc(CN2CCn3cc(CC(=O)NC(C)C)nc3C2C)n(C)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is GTTXQKTXCIUYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O.C2HF3O2/c1-12(2)19-17(25)9-15-10-24-7-6-23(14(4)18(24)20-15)11-16-8-13(3)21-22(16)5;3-2(4,5)1(6)7/h8,10,12,14H,6-7,9,11H2,1-5H3,(H,19,25);(H,6,7).
What are the key properties of 2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid?
2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 458.49 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155832237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).