(6S)-5-(1-propan-2-ylpyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C15H18N4O3 — CID 125174270

About (6S)-5-(1-propan-2-ylpyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

(6S)-5-(1-propan-2-ylpyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 125174270) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is (6S)-5-(1-propan-2-ylpyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: (6S)-5-(1-propan-2-ylpyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
• PubChem CID: 125174270
• Molecular Formula: C15H18N4O3
• Molecular Weight: 302.33 g/mol
• Exact Mass: 302.14
• IUPAC Name: (6S)-5-(1-propan-2-ylpyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
• SMILES: CC(C)n1cccc1C(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)O
• InChI: InChI=1S/C15H18N4O3/c1-9(2)18-5-3-4-12(18)14(20)19-7-11-10(16-8-17-11)6-13(19)15(21)22/h3-5,8-9,13H,6-7H2,1-2H3,(H,16,17)(H,21,22)/t13-/m0/s1
• InChIKey: GBQMJXMOVBJKBI-ZDUSSCGKSA-N
• XLogP: 1.44
• TPSA: 91.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.33
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (6S)-5-(1-propan-2-ylpyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The IUPAC name of (6S)-5-(1-propan-2-ylpyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 125174270) is (6S)-5-(1-propan-2-ylpyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

What is the SMILES notation for (6S)-5-(1-propan-2-ylpyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The canonical SMILES for (6S)-5-(1-propan-2-ylpyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is CC(C)n1cccc1C(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)O.

What is the InChIKey of (6S)-5-(1-propan-2-ylpyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The InChIKey is GBQMJXMOVBJKBI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-9(2)18-5-3-4-12(18)14(20)19-7-11-10(16-8-17-11)6-13(19)15(21)22/h3-5,8-9,13H,6-7H2,1-2H3,(H,16,17)(H,21,22)/t13-/m0/s1.

What are the key properties of (6S)-5-(1-propan-2-ylpyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

(6S)-5-(1-propan-2-ylpyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-5-(1-propan-2-ylpyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 125174270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).