4-[4-[6-amino-5-(7-bromoisoquinolin-3-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylic acid

C23H21BrN6O2 — CID 154356739

About 4-[4-[6-amino-5-(7-bromoisoquinolin-3-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylic acid

4-[4-[6-amino-5-(7-bromoisoquinolin-3-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylic acid (PubChem CID 154356739) has the molecular formula C23H21BrN6O2 and a molecular weight of 493.37 g/mol. Its IUPAC name is 4-[4-[6-amino-5-(7-bromoisoquinolin-3-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[4-[6-amino-5-(7-bromoisoquinolin-3-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylic acid
• PubChem CID: 154356739
• Molecular Formula: C23H21BrN6O2
• Molecular Weight: 493.37 g/mol
• Exact Mass: 492.09
• IUPAC Name: 4-[4-[6-amino-5-(7-bromoisoquinolin-3-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylic acid
• SMILES: Nc1ncc(-c2cnn(C3CCN(C(=O)O)CC3)c2)cc1-c1cc2ccc(Br)cc2cn1
• InChI: InChI=1S/C23H21BrN6O2/c24-18-2-1-14-9-21(26-10-15(14)7-18)20-8-16(11-27-22(20)25)17-12-28-30(13-17)19-3-5-29(6-4-19)23(31)32/h1-2,7-13,19H,3-6H2,(H2,25,27)(H,31,32)
• InChIKey: HSTZBOABZIEEHE-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 110.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.37
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-amino-5-(7-bromoisoquinolin-3-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylic acid?

The IUPAC name of 4-[4-[6-amino-5-(7-bromoisoquinolin-3-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylic acid (CID 154356739) is 4-[4-[6-amino-5-(7-bromoisoquinolin-3-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylic acid.

What is the SMILES notation for 4-[4-[6-amino-5-(7-bromoisoquinolin-3-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylic acid?

The canonical SMILES for 4-[4-[6-amino-5-(7-bromoisoquinolin-3-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylic acid is Nc1ncc(-c2cnn(C3CCN(C(=O)O)CC3)c2)cc1-c1cc2ccc(Br)cc2cn1.

What is the InChIKey of 4-[4-[6-amino-5-(7-bromoisoquinolin-3-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylic acid?

The InChIKey is HSTZBOABZIEEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN6O2/c24-18-2-1-14-9-21(26-10-15(14)7-18)20-8-16(11-27-22(20)25)17-12-28-30(13-17)19-3-5-29(6-4-19)23(31)32/h1-2,7-13,19H,3-6H2,(H2,25,27)(H,31,32).

What are the key properties of 4-[4-[6-amino-5-(7-bromoisoquinolin-3-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylic acid?

4-[4-[6-amino-5-(7-bromoisoquinolin-3-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylic acid has a molecular weight of 493.37 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[6-amino-5-(7-bromoisoquinolin-3-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 154356739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).