2-[(5-cyclobutyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)

C20H28F6N4O6 — CID 118746018

About 2-[(5-cyclobutyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)

2-[(5-cyclobutyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746018) has the molecular formula C20H28F6N4O6 and a molecular weight of 534.45 g/mol. Its IUPAC name is 2-[(5-cyclobutyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 2-[(5-cyclobutyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 118746018
• Molecular Formula: C20H28F6N4O6
• Molecular Weight: 534.45 g/mol
• Exact Mass: 534.19
• IUPAC Name: 2-[(5-cyclobutyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: CN(C)C(=O)COCC1CN(C2CCC2)Cc2ncn(C)c21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C16H26N4O2.2C2HF3O2/c1-18(2)15(21)10-22-9-12-7-20(13-5-4-6-13)8-14-16(12)19(3)11-17-14;2*3-2(4,5)1(6)7/h11-13H,4-10H2,1-3H3;2*(H,6,7)
• InChIKey: KYJASFCIPLXXQN-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 125.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.45
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclobutyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 2-[(5-cyclobutyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid) (CID 118746018) is 2-[(5-cyclobutyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 2-[(5-cyclobutyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 2-[(5-cyclobutyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid) is CN(C)C(=O)COCC1CN(C2CCC2)Cc2ncn(C)c21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 2-[(5-cyclobutyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is KYJASFCIPLXXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2.2C2HF3O2/c1-18(2)15(21)10-22-9-12-7-20(13-5-4-6-13)8-14-16(12)19(3)11-17-14;2*3-2(4,5)1(6)7/h11-13H,4-10H2,1-3H3;2*(H,6,7).

What are the key properties of 2-[(5-cyclobutyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)?

2-[(5-cyclobutyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 534.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-cyclobutyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).