6-[3-(tert-butylcarbamoyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]pyridine-3-carboxylic acid

C20H21N5O4 — CID 23143483

About 6-[3-(tert-butylcarbamoyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]pyridine-3-carboxylic acid

6-[3-(tert-butylcarbamoyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]pyridine-3-carboxylic acid (PubChem CID 23143483) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 6-[3-(tert-butylcarbamoyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[3-(tert-butylcarbamoyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]pyridine-3-carboxylic acid
• PubChem CID: 23143483
• Molecular Formula: C20H21N5O4
• Molecular Weight: 395.42 g/mol
• Exact Mass: 395.16
• IUPAC Name: 6-[3-(tert-butylcarbamoyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]pyridine-3-carboxylic acid
• SMILES: COc1ccc(-n2nc(C(=O)NC(C)(C)C)cc2-c2ccc(C(=O)O)cn2)cn1
• InChI: InChI=1S/C20H21N5O4/c1-20(2,3)23-18(26)15-9-16(14-7-5-12(10-21-14)19(27)28)25(24-15)13-6-8-17(29-4)22-11-13/h5-11H,1-4H3,(H,23,26)(H,27,28)
• InChIKey: DRDVPXJTHHYEFI-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 119.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.42
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[3-(tert-butylcarbamoyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]pyridine-3-carboxylic acid?

The IUPAC name of 6-[3-(tert-butylcarbamoyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]pyridine-3-carboxylic acid (CID 23143483) is 6-[3-(tert-butylcarbamoyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]pyridine-3-carboxylic acid.

What is the SMILES notation for 6-[3-(tert-butylcarbamoyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]pyridine-3-carboxylic acid?

The canonical SMILES for 6-[3-(tert-butylcarbamoyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]pyridine-3-carboxylic acid is COc1ccc(-n2nc(C(=O)NC(C)(C)C)cc2-c2ccc(C(=O)O)cn2)cn1.

What is the InChIKey of 6-[3-(tert-butylcarbamoyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]pyridine-3-carboxylic acid?

The InChIKey is DRDVPXJTHHYEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-20(2,3)23-18(26)15-9-16(14-7-5-12(10-21-14)19(27)28)25(24-15)13-6-8-17(29-4)22-11-13/h5-11H,1-4H3,(H,23,26)(H,27,28).

What are the key properties of 6-[3-(tert-butylcarbamoyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]pyridine-3-carboxylic acid?

6-[3-(tert-butylcarbamoyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]pyridine-3-carboxylic acid has a molecular weight of 395.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(tert-butylcarbamoyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 23143483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).