N,N-dimethyl-2-[[1-methyl-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;tris(2,2,2-trifluoroacetic acid)

C25H30F9N5O8 — CID 118747080

About N,N-dimethyl-2-[[1-methyl-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;tris(2,2,2-trifluoroacetic acid)

N,N-dimethyl-2-[[1-methyl-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;tris(2,2,2-trifluoroacetic acid) (PubChem CID 118747080) has the molecular formula C25H30F9N5O8 and a molecular weight of 699.52 g/mol. Its IUPAC name is N,N-dimethyl-2-[[1-methyl-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: N,N-dimethyl-2-[[1-methyl-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;tris(2,2,2-trifluoroacetic acid)
• PubChem CID: 118747080
• Molecular Formula: C25H30F9N5O8
• Molecular Weight: 699.52 g/mol
• Exact Mass: 699.20
• IUPAC Name: N,N-dimethyl-2-[[1-methyl-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;tris(2,2,2-trifluoroacetic acid)
• SMILES: Cc1cccc(CN2Cc3ncn(C)c3C(COCC(=O)N(C)C)C2)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H27N5O2.3C2HF3O2/c1-14-6-5-7-16(21-14)9-24-8-15(11-26-12-18(25)22(2)3)19-17(10-24)20-13-23(19)4;3*3-2(4,5)1(6)7/h5-7,13,15H,8-12H2,1-4H3;3*(H,6,7)
• InChIKey: HLOKEPHRTQECGV-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 175.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	699.52
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N,N-dimethyl-2-[[1-methyl-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;tris(2,2,2-trifluoroacetic acid) (CID 118747080) is N,N-dimethyl-2-[[1-methyl-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;tris(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for N,N-dimethyl-2-[[1-methyl-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;tris(2,2,2-trifluoroacetic acid) is Cc1cccc(CN2Cc3ncn(C)c3C(COCC(=O)N(C)C)C2)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is HLOKEPHRTQECGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2.3C2HF3O2/c1-14-6-5-7-16(21-14)9-24-8-15(11-26-12-18(25)22(2)3)19-17(10-24)20-13-23(19)4;3*3-2(4,5)1(6)7/h5-7,13,15H,8-12H2,1-4H3;3*(H,6,7).

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

N,N-dimethyl-2-[[1-methyl-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 699.52 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[[1-methyl-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118747080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).