(6R)-5-(3-methyl-4-morpholin-4-ylbenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C19H22N4O4 — CID 97454491

About (6R)-5-(3-methyl-4-morpholin-4-ylbenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

(6R)-5-(3-methyl-4-morpholin-4-ylbenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 97454491) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is (6R)-5-(3-methyl-4-morpholin-4-ylbenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: (6R)-5-(3-methyl-4-morpholin-4-ylbenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
• PubChem CID: 97454491
• Molecular Formula: C19H22N4O4
• Molecular Weight: 370.41 g/mol
• Exact Mass: 370.16
• IUPAC Name: (6R)-5-(3-methyl-4-morpholin-4-ylbenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
• SMILES: Cc1cc(C(=O)N2Cc3[nH]cnc3C[C@@H]2C(=O)O)ccc1N1CCOCC1
• InChI: InChI=1S/C19H22N4O4/c1-12-8-13(2-3-16(12)22-4-6-27-7-5-22)18(24)23-10-15-14(20-11-21-15)9-17(23)19(25)26/h2-3,8,11,17H,4-7,9-10H2,1H3,(H,20,21)(H,25,26)/t17-/m1/s1
• InChIKey: DRVQFJMOFOBTKL-QGZVFWFLSA-N
• XLogP: 1.21
• TPSA: 98.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.41
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (6R)-5-(3-methyl-4-morpholin-4-ylbenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 97454491) is (6R)-5-(3-methyl-4-morpholin-4-ylbenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

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

The canonical SMILES for (6R)-5-(3-methyl-4-morpholin-4-ylbenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is Cc1cc(C(=O)N2Cc3[nH]cnc3C[C@@H]2C(=O)O)ccc1N1CCOCC1.

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

The InChIKey is DRVQFJMOFOBTKL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-12-8-13(2-3-16(12)22-4-6-27-7-5-22)18(24)23-10-15-14(20-11-21-15)9-17(23)19(25)26/h2-3,8,11,17H,4-7,9-10H2,1H3,(H,20,21)(H,25,26)/t17-/m1/s1.

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

(6R)-5-(3-methyl-4-morpholin-4-ylbenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-5-(3-methyl-4-morpholin-4-ylbenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 97454491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).