7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid

C19H21F3N4O3 — CID 155860016

IUPAC7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCOCC1CN(Cc2cccc3[nH]ccc23)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C17H20N4O.C2HF3O2/c1-22-11-15-10-20(9-14-7-18-12-21(14)15)8-13-3-2-4-17-16(13)5-6-19-17;3-2(4,5)1(6)7/h2-7,12,15,19H,8-11H2,1H3;(H,6,7)
InChIKeyFYQHNCTZAMWZRC-UHFFFAOYSA-N
MW410.40 g/mol
LogP3.20
Rot. Bonds4

About 7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid

7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 155860016) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is 7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID155860016
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC Name7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCOCC1CN(Cc2cccc3[nH]ccc23)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C17H20N4O.C2HF3O2/c1-22-11-15-10-20(9-14-7-18-12-21(14)15)8-13-3-2-4-17-16(13)5-6-19-17;3-2(4,5)1(6)7/h2-7,12,15,19H,8-11H2,1H3;(H,6,7)
InChIKeyFYQHNCTZAMWZRC-UHFFFAOYSA-N
XLogP3.20
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 124798405
2-[[(5S)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide
CID 124810727
7-(1H-indol-4-ylmethyl)-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131639369
(5R)-5-(methoxymethyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 124915536
2-(1H-indol-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155856058
5-(1H-indol-4-ylmethyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 133141807
5-[[5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole
CID 131646474
7-[(2-methoxyphenyl)methyl]-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 131643028
N-[2-[(7S)-5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanecarboxamide
CID 124782247
3-[[(3S,3aS,6aS)-5-(1H-indol-4-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,1-dimethylurea;2,2,2-trifluoroacetic acid
CID 155834923
N-[2-[5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
CID 131677621
(3,3-difluoroazetidin-1-yl)-[7-[(2-methoxyphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone
CID 131663485

Frequently Asked Questions

What is the IUPAC name of 7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid (CID 155860016) is 7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid is COCC1CN(Cc2cccc3[nH]ccc23)Cc2cncn21.O=C(O)C(F)(F)F.
What is the InChIKey of 7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The InChIKey is FYQHNCTZAMWZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O.C2HF3O2/c1-22-11-15-10-20(9-14-7-18-12-21(14)15)8-13-3-2-4-17-16(13)5-6-19-17;3-2(4,5)1(6)7/h2-7,12,15,19H,8-11H2,1H3;(H,6,7).
What are the key properties of 7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 410.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155860016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).