7-[(6-methyl-2-pyridinyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)

C23H23F9N6O6 — CID 118747128

IUPAC7-[(6-methyl-2-pyridinyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
SMILESCc1cccc(CN2CCn3cc(Cn4cccn4)nc3C2)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C17H20N6.3C2HF3O2/c1-14-4-2-5-15(19-14)10-21-8-9-22-11-16(20-17(22)13-21)12-23-7-3-6-18-23;3*3-2(4,5)1(6)7/h2-7,11H,8-10,12-13H2,1H3;3*(H,6,7)
InChIKeyDLMCAVJBUZMBOY-UHFFFAOYSA-N
MW650.46 g/mol
LogP3.75
Rot. Bonds4

About 7-[(6-methyl-2-pyridinyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)

7-[(6-methyl-2-pyridinyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) (PubChem CID 118747128) has the molecular formula C23H23F9N6O6 and a molecular weight of 650.46 g/mol. Its IUPAC name is 7-[(6-methyl-2-pyridinyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name7-[(6-methyl-2-pyridinyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
PubChem CID118747128
Molecular FormulaC23H23F9N6O6
Molecular Weight650.46 g/mol
Exact Mass650.15
IUPAC Name7-[(6-methyl-2-pyridinyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
SMILESCc1cccc(CN2CCn3cc(Cn4cccn4)nc3C2)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C17H20N6.3C2HF3O2/c1-14-4-2-5-15(19-14)10-21-8-9-22-11-16(20-17(22)13-21)12-23-7-3-6-18-23;3*3-2(4,5)1(6)7/h2-7,11H,8-10,12-13H2,1H3;3*(H,6,7)
InChIKeyDLMCAVJBUZMBOY-UHFFFAOYSA-N
XLogP3.75
TPSA163.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500650.46
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[(6-methyl-2-pyridinyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of 7-[(6-methyl-2-pyridinyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) (CID 118747128) is 7-[(6-methyl-2-pyridinyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 7-[(6-methyl-2-pyridinyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 7-[(6-methyl-2-pyridinyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) is Cc1cccc(CN2CCn3cc(Cn4cccn4)nc3C2)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 7-[(6-methyl-2-pyridinyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is DLMCAVJBUZMBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6.3C2HF3O2/c1-14-4-2-5-15(19-14)10-21-8-9-22-11-16(20-17(22)13-21)12-23-7-3-6-18-23;3*3-2(4,5)1(6)7/h2-7,11H,8-10,12-13H2,1H3;3*(H,6,7).
What are the key properties of 7-[(6-methyl-2-pyridinyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)?
7-[(6-methyl-2-pyridinyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 650.46 g/mol, XLogP of 3.75, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-methyl-2-pyridinyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118747128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).