5-(furan-3-ylmethyl)-1-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid

C20H21F3N6O4 — CID 155834456

About 5-(furan-3-ylmethyl)-1-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid

5-(furan-3-ylmethyl)-1-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155834456) has the molecular formula C20H21F3N6O4 and a molecular weight of 466.42 g/mol. Its IUPAC name is 5-(furan-3-ylmethyl)-1-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 5-(furan-3-ylmethyl)-1-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155834456
• Molecular Formula: C20H21F3N6O4
• Molecular Weight: 466.42 g/mol
• Exact Mass: 466.16
• IUPAC Name: 5-(furan-3-ylmethyl)-1-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: Cn1cnc2c1C(C(=O)NCc1ncccn1)CN(Cc1ccoc1)C2.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H20N6O2.C2HF3O2/c1-23-12-22-15-10-24(8-13-3-6-26-11-13)9-14(17(15)23)18(25)21-7-16-19-4-2-5-20-16;3-2(4,5)1(6)7/h2-6,11-12,14H,7-10H2,1H3,(H,21,25);(H,6,7)
• InChIKey: XHZICCINGFIHIW-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 126.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.42
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-ylmethyl)-1-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 5-(furan-3-ylmethyl)-1-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (CID 155834456) is 5-(furan-3-ylmethyl)-1-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 5-(furan-3-ylmethyl)-1-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 5-(furan-3-ylmethyl)-1-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is Cn1cnc2c1C(C(=O)NCc1ncccn1)CN(Cc1ccoc1)C2.O=C(O)C(F)(F)F.

What is the InChIKey of 5-(furan-3-ylmethyl)-1-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is XHZICCINGFIHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2.C2HF3O2/c1-23-12-22-15-10-24(8-13-3-6-26-11-13)9-14(17(15)23)18(25)21-7-16-19-4-2-5-20-16;3-2(4,5)1(6)7/h2-6,11-12,14H,7-10H2,1H3,(H,21,25);(H,6,7).

What are the key properties of 5-(furan-3-ylmethyl)-1-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?

5-(furan-3-ylmethyl)-1-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 466.42 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(furan-3-ylmethyl)-1-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155834456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).