(4R)-5-[(3-pyridin-2-ylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

C19H18N4O2 — CID 95867307

About (4R)-5-[(3-pyridin-2-ylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

(4R)-5-[(3-pyridin-2-ylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (PubChem CID 95867307) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (4R)-5-[(3-pyridin-2-ylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: (4R)-5-[(3-pyridin-2-ylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
• PubChem CID: 95867307
• Molecular Formula: C19H18N4O2
• Molecular Weight: 334.38 g/mol
• Exact Mass: 334.14
• IUPAC Name: (4R)-5-[(3-pyridin-2-ylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
• SMILES: O=C(O)[C@H]1c2nc[nH]c2CCN1Cc1cccc(-c2ccccn2)c1
• InChI: InChI=1S/C19H18N4O2/c24-19(25)18-17-16(21-12-22-17)7-9-23(18)11-13-4-3-5-14(10-13)15-6-1-2-8-20-15/h1-6,8,10,12,18H,7,9,11H2,(H,21,22)(H,24,25)/t18-/m1/s1
• InChIKey: IXWZZQWOHVBCPS-GOSISDBHSA-N
• XLogP: 2.66
• TPSA: 82.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.38
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[(3-pyridin-2-ylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?

The IUPAC name of (4R)-5-[(3-pyridin-2-ylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (CID 95867307) is (4R)-5-[(3-pyridin-2-ylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.

What is the SMILES notation for (4R)-5-[(3-pyridin-2-ylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?

The canonical SMILES for (4R)-5-[(3-pyridin-2-ylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is O=C(O)[C@H]1c2nc[nH]c2CCN1Cc1cccc(-c2ccccn2)c1.

What is the InChIKey of (4R)-5-[(3-pyridin-2-ylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?

The InChIKey is IXWZZQWOHVBCPS-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-19(25)18-17-16(21-12-22-17)7-9-23(18)11-13-4-3-5-14(10-13)15-6-1-2-8-20-15/h1-6,8,10,12,18H,7,9,11H2,(H,21,22)(H,24,25)/t18-/m1/s1.

What are the key properties of (4R)-5-[(3-pyridin-2-ylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?

(4R)-5-[(3-pyridin-2-ylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid has a molecular weight of 334.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-5-[(3-pyridin-2-ylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 95867307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).