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

C22H30F3N3O5 — CID 118745004

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

cyclopent-3-en-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 118745004) has the molecular formula C22H30F3N3O5 and a molecular weight of 473.49 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: cyclopent-3-en-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 118745004
• Molecular Formula: C22H30F3N3O5
• Molecular Weight: 473.49 g/mol
• Exact Mass: 473.21
• IUPAC Name: cyclopent-3-en-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid
• SMILES: Cn1cnc2c1C(COCC1CCOCC1)CN(C(=O)C1CC=CC1)C2.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H29N3O3.C2HF3O2/c1-22-14-21-18-11-23(20(24)16-4-2-3-5-16)10-17(19(18)22)13-26-12-15-6-8-25-9-7-15;3-2(4,5)1(6)7/h2-3,14-17H,4-13H2,1H3;(H,6,7)
• InChIKey: MCQXIVVQQMIZRL-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 93.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.49
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of cyclopent-3-en-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid (CID 118745004) is cyclopent-3-en-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid.

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

The canonical SMILES for cyclopent-3-en-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid is Cn1cnc2c1C(COCC1CCOCC1)CN(C(=O)C1CC=CC1)C2.O=C(O)C(F)(F)F.

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

The InChIKey is MCQXIVVQQMIZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3.C2HF3O2/c1-22-14-21-18-11-23(20(24)16-4-2-3-5-16)10-17(19(18)22)13-26-12-15-6-8-25-9-7-15;3-2(4,5)1(6)7/h2-3,14-17H,4-13H2,1H3;(H,6,7).

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

cyclopent-3-en-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 473.49 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopent-3-en-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118745004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).