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

C21H30F3N5O4 — CID 155863223

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

(2-ethyl-5-methylpyrazol-3-yl)-[1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155863223) has the molecular formula C21H30F3N5O4 and a molecular weight of 473.50 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrazol-3-yl)-[1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: (2-ethyl-5-methylpyrazol-3-yl)-[1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155863223
• Molecular Formula: C21H30F3N5O4
• Molecular Weight: 473.50 g/mol
• Exact Mass: 473.22
• IUPAC Name: (2-ethyl-5-methylpyrazol-3-yl)-[1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid
• SMILES: CCn1nc(C)cc1C(=O)N1Cc2ncn(C)c2C(COCC(C)C)C1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H29N5O2.C2HF3O2/c1-6-24-17(7-14(4)21-24)19(25)23-8-15(11-26-10-13(2)3)18-16(9-23)20-12-22(18)5;3-2(4,5)1(6)7/h7,12-13,15H,6,8-11H2,1-5H3;(H,6,7)
• InChIKey: DLQVSWNMYUWKPP-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 102.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.50
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-[1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid (CID 155863223) is (2-ethyl-5-methylpyrazol-3-yl)-[1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid.

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

The canonical SMILES for (2-ethyl-5-methylpyrazol-3-yl)-[1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid is CCn1nc(C)cc1C(=O)N1Cc2ncn(C)c2C(COCC(C)C)C1.O=C(O)C(F)(F)F.

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

The InChIKey is DLQVSWNMYUWKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2.C2HF3O2/c1-6-24-17(7-14(4)21-24)19(25)23-8-15(11-26-10-13(2)3)18-16(9-23)20-12-22(18)5;3-2(4,5)1(6)7/h7,12-13,15H,6,8-11H2,1-5H3;(H,6,7).

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

(2-ethyl-5-methylpyrazol-3-yl)-[1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 473.50 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2-ethyl-5-methylpyrazol-3-yl)-[1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155863223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).