[1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid

C20H25F3N4O4S — CID 155832780

About [1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid

[1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 155832780) has the molecular formula C20H25F3N4O4S and a molecular weight of 474.51 g/mol. Its IUPAC name is [1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155832780
• Molecular Formula: C20H25F3N4O4S
• Molecular Weight: 474.51 g/mol
• Exact Mass: 474.15
• IUPAC Name: [1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
• SMILES: Cc1ccsc1CN1Cc2ncn(C)c2C(C(=O)N2CCOCC2)C1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H24N4O2S.C2HF3O2/c1-13-3-8-25-16(13)11-21-9-14(17-15(10-21)19-12-20(17)2)18(23)22-4-6-24-7-5-22;3-2(4,5)1(6)7/h3,8,12,14H,4-7,9-11H2,1-2H3;(H,6,7)
• InChIKey: FJJXOILGAOWWRB-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 87.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.51
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?

The IUPAC name of [1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid (CID 155832780) is [1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for [1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for [1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid is Cc1ccsc1CN1Cc2ncn(C)c2C(C(=O)N2CCOCC2)C1.O=C(O)C(F)(F)F.

What is the InChIKey of [1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?

The InChIKey is FJJXOILGAOWWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S.C2HF3O2/c1-13-3-8-25-16(13)11-21-9-14(17-15(10-21)19-12-20(17)2)18(23)22-4-6-24-7-5-22;3-2(4,5)1(6)7/h3,8,12,14H,4-7,9-11H2,1-2H3;(H,6,7).

What are the key properties of [1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?

[1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 474.51 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155832780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).