(6R)-5-[(E)-3-phenylprop-2-enyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C16H17N3O2 — CID 97283301

About (6R)-5-[(E)-3-phenylprop-2-enyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

(6R)-5-[(E)-3-phenylprop-2-enyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 97283301) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is (6R)-5-[(E)-3-phenylprop-2-enyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: (6R)-5-[(E)-3-phenylprop-2-enyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
• PubChem CID: 97283301
• Molecular Formula: C16H17N3O2
• Molecular Weight: 283.33 g/mol
• Exact Mass: 283.13
• IUPAC Name: (6R)-5-[(E)-3-phenylprop-2-enyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
• SMILES: O=C(O)[C@H]1Cc2nc[nH]c2CN1C/C=C/c1ccccc1
• InChI: InChI=1S/C16H17N3O2/c20-16(21)15-9-13-14(18-11-17-13)10-19(15)8-4-7-12-5-2-1-3-6-12/h1-7,11,15H,8-10H2,(H,17,18)(H,20,21)/b7-4+/t15-/m1/s1
• InChIKey: YDTPBEIHBCMVNF-NFBGWVBBSA-N
• XLogP: 1.93
• TPSA: 69.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	283.33
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (6R)-5-[(E)-3-phenylprop-2-enyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The IUPAC name of (6R)-5-[(E)-3-phenylprop-2-enyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 97283301) is (6R)-5-[(E)-3-phenylprop-2-enyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

What is the SMILES notation for (6R)-5-[(E)-3-phenylprop-2-enyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The canonical SMILES for (6R)-5-[(E)-3-phenylprop-2-enyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)[C@H]1Cc2nc[nH]c2CN1C/C=C/c1ccccc1.

What is the InChIKey of (6R)-5-[(E)-3-phenylprop-2-enyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The InChIKey is YDTPBEIHBCMVNF-NFBGWVBBSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-16(21)15-9-13-14(18-11-17-13)10-19(15)8-4-7-12-5-2-1-3-6-12/h1-7,11,15H,8-10H2,(H,17,18)(H,20,21)/b7-4+/t15-/m1/s1.

What are the key properties of (6R)-5-[(E)-3-phenylprop-2-enyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

(6R)-5-[(E)-3-phenylprop-2-enyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-5-[(E)-3-phenylprop-2-enyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 97283301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).