2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C16H13N5O3 — CID 71279955

About 2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71279955) has the molecular formula C16H13N5O3 and a molecular weight of 323.31 g/mol. Its IUPAC name is 2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

• Compound Name: 2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• PubChem CID: 71279955
• Molecular Formula: C16H13N5O3
• Molecular Weight: 323.31 g/mol
• Exact Mass: 323.10
• IUPAC Name: 2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• SMILES: COc1ccc2c(c1)c(-c1cnc3[nH]cc(C(=O)O)c3n1)nn2C
• InChI: InChI=1S/C16H13N5O3/c1-21-12-4-3-8(24-2)5-9(12)13(20-21)11-7-18-15-14(19-11)10(6-17-15)16(22)23/h3-7H,1-2H3,(H,17,18)(H,22,23)
• InChIKey: SDGJBRFTOMTVQP-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 105.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.31
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The IUPAC name of 2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71279955) is 2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

What is the SMILES notation for 2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The canonical SMILES for 2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is COc1ccc2c(c1)c(-c1cnc3[nH]cc(C(=O)O)c3n1)nn2C.

What is the InChIKey of 2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The InChIKey is SDGJBRFTOMTVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3/c1-21-12-4-3-8(24-2)5-9(12)13(20-21)11-7-18-15-14(19-11)10(6-17-15)16(22)23/h3-7H,1-2H3,(H,17,18)(H,22,23).

What are the key properties of 2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 323.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71279955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).