7-(methoxymethyl)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)

C18H23F6N5O5 — CID 155824029

About 7-(methoxymethyl)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)

7-(methoxymethyl)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155824029) has the molecular formula C18H23F6N5O5 and a molecular weight of 503.40 g/mol. Its IUPAC name is 7-(methoxymethyl)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 7-(methoxymethyl)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155824029
• Molecular Formula: C18H23F6N5O5
• Molecular Weight: 503.40 g/mol
• Exact Mass: 503.16
• IUPAC Name: 7-(methoxymethyl)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
• SMILES: COCC1CN(Cc2cnn(C)c2)Cc2ncn(C)c21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C14H21N5O.2C2HF3O2/c1-17-10-15-13-8-19(6-11-4-16-18(2)5-11)7-12(9-20-3)14(13)17;2*3-2(4,5)1(6)7/h4-5,10,12H,6-9H2,1-3H3;2*(H,6,7)
• InChIKey: SOZHWIYRFSTCFH-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 122.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.40
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 7-(methoxymethyl)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) (CID 155824029) is 7-(methoxymethyl)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 7-(methoxymethyl)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 7-(methoxymethyl)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) is COCC1CN(Cc2cnn(C)c2)Cc2ncn(C)c21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 7-(methoxymethyl)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is SOZHWIYRFSTCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O.2C2HF3O2/c1-17-10-15-13-8-19(6-11-4-16-18(2)5-11)7-12(9-20-3)14(13)17;2*3-2(4,5)1(6)7/h4-5,10,12H,6-9H2,1-3H3;2*(H,6,7).

What are the key properties of 7-(methoxymethyl)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)?

7-(methoxymethyl)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 503.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(methoxymethyl)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155824029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).