(6S)-5-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C16H15N5O3 — CID 126434721

About (6S)-5-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

(6S)-5-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 126434721) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is (6S)-5-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: (6S)-5-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
• PubChem CID: 126434721
• Molecular Formula: C16H15N5O3
• Molecular Weight: 325.33 g/mol
• Exact Mass: 325.12
• IUPAC Name: (6S)-5-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
• SMILES: O=C(O)[C@@H]1Cc2nc[nH]c2CN1C(=O)Cc1[nH]nc2ccccc12
• InChI: InChI=1S/C16H15N5O3/c22-15(6-11-9-3-1-2-4-10(9)19-20-11)21-7-13-12(17-8-18-13)5-14(21)16(23)24/h1-4,8,14H,5-7H2,(H,17,18)(H,19,20)(H,23,24)/t14-/m0/s1
• InChIKey: LSYZHXORRLZAII-AWEZNQCLSA-N
• XLogP: 0.87
• TPSA: 114.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.33
LogP ≤ 5	0.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (6S)-5-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The IUPAC name of (6S)-5-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 126434721) is (6S)-5-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

What is the SMILES notation for (6S)-5-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The canonical SMILES for (6S)-5-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)[C@@H]1Cc2nc[nH]c2CN1C(=O)Cc1[nH]nc2ccccc12.

What is the InChIKey of (6S)-5-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The InChIKey is LSYZHXORRLZAII-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15N5O3/c22-15(6-11-9-3-1-2-4-10(9)19-20-11)21-7-13-12(17-8-18-13)5-14(21)16(23)24/h1-4,8,14H,5-7H2,(H,17,18)(H,19,20)(H,23,24)/t14-/m0/s1.

What are the key properties of (6S)-5-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

(6S)-5-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 325.33 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-5-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 126434721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).