5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

C21H20F6N6O5 — CID 155824076

IUPAC5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cnc(N2Cc3cncn3C(COCc3cccnc3)C2)nc1
InChIInChI=1S/C17H18N6O.2C2HF3O2/c1-3-14(7-18-4-1)11-24-12-16-10-22(17-20-5-2-6-21-17)9-15-8-19-13-23(15)16;2*3-2(4,5)1(6)7/h1-8,13,16H,9-12H2;2*(H,6,7)
InChIKeyADNKALTWGIHWGU-UHFFFAOYSA-N
MW550.42 g/mol
LogP3.11
Rot. Bonds5

About 5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155824076) has the molecular formula C21H20F6N6O5 and a molecular weight of 550.42 g/mol. Its IUPAC name is 5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155824076
Molecular FormulaC21H20F6N6O5
Molecular Weight550.42 g/mol
Exact Mass550.14
IUPAC Name5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cnc(N2Cc3cncn3C(COCc3cccnc3)C2)nc1
InChIInChI=1S/C17H18N6O.2C2HF3O2/c1-3-14(7-18-4-1)11-24-12-16-10-22(17-20-5-2-6-21-17)9-15-8-19-13-23(15)16;2*3-2(4,5)1(6)7/h1-8,13,16H,9-12H2;2*(H,6,7)
InChIKeyADNKALTWGIHWGU-UHFFFAOYSA-N
XLogP3.11
TPSA143.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (CID 155824076) is 5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cnc(N2Cc3cncn3C(COCc3cccnc3)C2)nc1.
What is the InChIKey of 5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is ADNKALTWGIHWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O.2C2HF3O2/c1-3-14(7-18-4-1)11-24-12-16-10-22(17-20-5-2-6-21-17)9-15-8-19-13-23(15)16;2*3-2(4,5)1(6)7/h1-8,13,16H,9-12H2;2*(H,6,7).
What are the key properties of 5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 550.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155824076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).