3-(3-fluorophenyl)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid

C19H19F4N5O2 — CID 155826275

IUPAC3-(3-fluorophenyl)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCn1cc(CN2CCn3c(-c4cccc(F)c4)cnc3C2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H18FN5.C2HF3O2/c1-21-10-13(8-20-21)11-22-5-6-23-16(9-19-17(23)12-22)14-3-2-4-15(18)7-14;3-2(4,5)1(6)7/h2-4,7-10H,5-6,11-12H2,1H3;(H,6,7)
InChIKeySUNWZMDOKLYSQX-UHFFFAOYSA-N
MW425.39 g/mol
LogP3.07
Rot. Bonds3

About 3-(3-fluorophenyl)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid

3-(3-fluorophenyl)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 155826275) has the molecular formula C19H19F4N5O2 and a molecular weight of 425.39 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID155826275
Molecular FormulaC19H19F4N5O2
Molecular Weight425.39 g/mol
Exact Mass425.15
IUPAC Name3-(3-fluorophenyl)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCn1cc(CN2CCn3c(-c4cccc(F)c4)cnc3C2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H18FN5.C2HF3O2/c1-21-10-13(8-20-21)11-22-5-6-23-16(9-19-17(23)12-22)14-3-2-4-15(18)7-14;3-2(4,5)1(6)7/h2-4,7-10H,5-6,11-12H2,1H3;(H,6,7)
InChIKeySUNWZMDOKLYSQX-UHFFFAOYSA-N
XLogP3.07
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(3-fluorophenyl)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (CID 155826275) is 3-(3-fluorophenyl)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(3-fluorophenyl)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(3-fluorophenyl)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is Cn1cc(CN2CCn3c(-c4cccc(F)c4)cnc3C2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(3-fluorophenyl)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The InChIKey is SUNWZMDOKLYSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5.C2HF3O2/c1-21-10-13(8-20-21)11-22-5-6-23-16(9-19-17(23)12-22)14-3-2-4-15(18)7-14;3-2(4,5)1(6)7/h2-4,7-10H,5-6,11-12H2,1H3;(H,6,7).
What are the key properties of 3-(3-fluorophenyl)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
3-(3-fluorophenyl)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 425.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155826275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).