1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid

C17H20F3N3O4S — CID 155860155

IUPAC1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid
SMILESCOCC1CN(C(=O)Cc2cccs2)Cc2ncn(C)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C15H19N3O2S.C2HF3O2/c1-17-10-16-13-8-18(7-11(9-20-2)15(13)17)14(19)6-12-4-3-5-21-12;3-2(4,5)1(6)7/h3-5,10-11H,6-9H2,1-2H3;(H,6,7)
InChIKeyDDRBAZOVWMHEKP-UHFFFAOYSA-N
MW419.43 g/mol
LogP2.43
Rot. Bonds4

About 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid

1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid (PubChem CID 155860155) has the molecular formula C17H20F3N3O4S and a molecular weight of 419.43 g/mol. Its IUPAC name is 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid
PubChem CID155860155
Molecular FormulaC17H20F3N3O4S
Molecular Weight419.43 g/mol
Exact Mass419.11
IUPAC Name1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid
SMILESCOCC1CN(C(=O)Cc2cccs2)Cc2ncn(C)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C15H19N3O2S.C2HF3O2/c1-17-10-16-13-8-18(7-11(9-20-2)15(13)17)14(19)6-12-4-3-5-21-12;3-2(4,5)1(6)7/h3-5,10-11H,6-9H2,1-2H3;(H,6,7)
InChIKeyDDRBAZOVWMHEKP-UHFFFAOYSA-N
XLogP2.43
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid (CID 155860155) is 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid is COCC1CN(C(=O)Cc2cccs2)Cc2ncn(C)c21.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid?
The InChIKey is DDRBAZOVWMHEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S.C2HF3O2/c1-17-10-16-13-8-18(7-11(9-20-2)15(13)17)14(19)6-12-4-3-5-21-12;3-2(4,5)1(6)7/h3-5,10-11H,6-9H2,1-2H3;(H,6,7).
What are the key properties of 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid?
1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid has a molecular weight of 419.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155860155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).