(6R)-5-[3-(1H-indol-3-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C18H18N4O3 — CID 97453567

About (6R)-5-[3-(1H-indol-3-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

(6R)-5-[3-(1H-indol-3-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 97453567) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is (6R)-5-[3-(1H-indol-3-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: (6R)-5-[3-(1H-indol-3-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
• PubChem CID: 97453567
• Molecular Formula: C18H18N4O3
• Molecular Weight: 338.37 g/mol
• Exact Mass: 338.14
• IUPAC Name: (6R)-5-[3-(1H-indol-3-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
• SMILES: O=C(O)[C@H]1Cc2nc[nH]c2CN1C(=O)CCc1c[nH]c2ccccc12
• InChI: InChI=1S/C18H18N4O3/c23-17(6-5-11-8-19-13-4-2-1-3-12(11)13)22-9-15-14(20-10-21-15)7-16(22)18(24)25/h1-4,8,10,16,19H,5-7,9H2,(H,20,21)(H,24,25)/t16-/m1/s1
• InChIKey: PLAUUPDDJOHAKX-MRXNPFEDSA-N
• XLogP: 1.86
• TPSA: 102.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.37
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (6R)-5-[3-(1H-indol-3-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The IUPAC name of (6R)-5-[3-(1H-indol-3-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 97453567) is (6R)-5-[3-(1H-indol-3-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

What is the SMILES notation for (6R)-5-[3-(1H-indol-3-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The canonical SMILES for (6R)-5-[3-(1H-indol-3-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)[C@H]1Cc2nc[nH]c2CN1C(=O)CCc1c[nH]c2ccccc12.

What is the InChIKey of (6R)-5-[3-(1H-indol-3-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The InChIKey is PLAUUPDDJOHAKX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18N4O3/c23-17(6-5-11-8-19-13-4-2-1-3-12(11)13)22-9-15-14(20-10-21-15)7-16(22)18(24)25/h1-4,8,10,16,19H,5-7,9H2,(H,20,21)(H,24,25)/t16-/m1/s1.

What are the key properties of (6R)-5-[3-(1H-indol-3-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

(6R)-5-[3-(1H-indol-3-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 338.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-5-[3-(1H-indol-3-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 97453567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).