[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid

C20H24F3N3O5 — CID 155824182

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

[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155824182) has the molecular formula C20H24F3N3O5 and a molecular weight of 443.42 g/mol. Its IUPAC name is [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155824182
• Molecular Formula: C20H24F3N3O5
• Molecular Weight: 443.42 g/mol
• Exact Mass: 443.17
• IUPAC Name: [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid
• SMILES: Cc1occc1C(=O)N1Cc2ncn(C)c2C(COCC2CC2)C1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H23N3O3.C2HF3O2/c1-12-15(5-6-24-12)18(22)21-7-14(10-23-9-13-3-4-13)17-16(8-21)19-11-20(17)2;3-2(4,5)1(6)7/h5-6,11,13-14H,3-4,7-10H2,1-2H3;(H,6,7)
• InChIKey: LWTRYMVMDXXJRJ-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 97.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.42
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid (CID 155824182) is [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid.

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

The canonical SMILES for [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid is Cc1occc1C(=O)N1Cc2ncn(C)c2C(COCC2CC2)C1.O=C(O)C(F)(F)F.

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

The InChIKey is LWTRYMVMDXXJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3.C2HF3O2/c1-12-15(5-6-24-12)18(22)21-7-14(10-23-9-13-3-4-13)17-16(8-21)19-11-20(17)2;3-2(4,5)1(6)7/h5-6,11,13-14H,3-4,7-10H2,1-2H3;(H,6,7).

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

[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 443.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155824182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).