3-(methoxymethyl)-8-methyl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

C19H22F6N4O5 — CID 118746364

IUPAC3-(methoxymethyl)-8-methyl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESCOCc1cnc2n1CCN(Cc1cccnc1)C2C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C15H20N4O.2C2HF3O2/c1-12-15-17-9-14(11-20-2)19(15)7-6-18(12)10-13-4-3-5-16-8-13;2*3-2(4,5)1(6)7/h3-5,8-9,12H,6-7,10-11H2,1-2H3;2*(H,6,7)
InChIKeyPMZNEQSLKXMTPJ-UHFFFAOYSA-N
MW500.40 g/mol
LogP3.27
Rot. Bonds4

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

3-(methoxymethyl)-8-methyl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746364) has the molecular formula C19H22F6N4O5 and a molecular weight of 500.40 g/mol. Its IUPAC name is 3-(methoxymethyl)-8-methyl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name3-(methoxymethyl)-8-methyl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID118746364
Molecular FormulaC19H22F6N4O5
Molecular Weight500.40 g/mol
Exact Mass500.15
IUPAC Name3-(methoxymethyl)-8-methyl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESCOCc1cnc2n1CCN(Cc1cccnc1)C2C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C15H20N4O.2C2HF3O2/c1-12-15-17-9-14(11-20-2)19(15)7-6-18(12)10-13-4-3-5-16-8-13;2*3-2(4,5)1(6)7/h3-5,8-9,12H,6-7,10-11H2,1-2H3;2*(H,6,7)
InChIKeyPMZNEQSLKXMTPJ-UHFFFAOYSA-N
XLogP3.27
TPSA117.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl 3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 715544
3-[4-[4-(2-Methoxyethyl)-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344692
Methyl 3-fluoro-8-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 1521600
1'-(Cyclopropylmethyl)-3-(3-fluorophenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
CID 118747015
8-methyl-3-(oxan-4-ylmethoxymethyl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118745698
3-(methoxymethyl)-8-methyl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118746365
N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyridin-3-ylmethanamine
CID 118747079
Imidazo[1,2-a]pyridin-2-ylmethyl acetate
CID 4107494
3-[(3-{[2-(Methoxymethyl)-5-methyl-1H-imidazol-1-YL]methyl}piperidin-1-YL)methyl]pyridine
CID 124076054
2-{4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-piperidinyl}-6-methyl-4-(trifluoromethyl)pyridine
CID 70739933
1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid
CID 118743051
[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 118745196

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-8-methyl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 3-(methoxymethyl)-8-methyl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (CID 118746364) is 3-(methoxymethyl)-8-methyl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 3-(methoxymethyl)-8-methyl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 3-(methoxymethyl)-8-methyl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is COCc1cnc2n1CCN(Cc1cccnc1)C2C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(methoxymethyl)-8-methyl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is PMZNEQSLKXMTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.2C2HF3O2/c1-12-15-17-9-14(11-20-2)19(15)7-6-18(12)10-13-4-3-5-16-8-13;2*3-2(4,5)1(6)7/h3-5,8-9,12H,6-7,10-11H2,1-2H3;2*(H,6,7).
What are the key properties of 3-(methoxymethyl)-8-methyl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
3-(methoxymethyl)-8-methyl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 500.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-8-methyl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).