(6R)-5-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C20H19N3O5 — CID 97278790

About (6R)-5-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

(6R)-5-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 97278790) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is (6R)-5-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: (6R)-5-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
• PubChem CID: 97278790
• Molecular Formula: C20H19N3O5
• Molecular Weight: 381.39 g/mol
• Exact Mass: 381.13
• IUPAC Name: (6R)-5-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
• SMILES: Cc1cc(COc2ccccc2)oc1C(=O)N1Cc2[nH]cnc2C[C@@H]1C(=O)O
• InChI: InChI=1S/C20H19N3O5/c1-12-7-14(10-27-13-5-3-2-4-6-13)28-18(12)19(24)23-9-16-15(21-11-22-16)8-17(23)20(25)26/h2-7,11,17H,8-10H2,1H3,(H,21,22)(H,25,26)/t17-/m1/s1
• InChIKey: LSDUWIXMTWBCDH-QGZVFWFLSA-N
• XLogP: 2.54
• TPSA: 108.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.39
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6R)-5-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The IUPAC name of (6R)-5-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 97278790) is (6R)-5-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

What is the SMILES notation for (6R)-5-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The canonical SMILES for (6R)-5-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is Cc1cc(COc2ccccc2)oc1C(=O)N1Cc2[nH]cnc2C[C@@H]1C(=O)O.

What is the InChIKey of (6R)-5-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The InChIKey is LSDUWIXMTWBCDH-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-12-7-14(10-27-13-5-3-2-4-6-13)28-18(12)19(24)23-9-16-15(21-11-22-16)8-17(23)20(25)26/h2-7,11,17H,8-10H2,1H3,(H,21,22)(H,25,26)/t17-/m1/s1.

What are the key properties of (6R)-5-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

(6R)-5-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 381.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-5-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 97278790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).