(2R,3R)-3-[6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[3,2-c]pyridin-1-yl]-2-methylbutanoic acid

C19H17FN4O2 — CID 146523393

About (2R,3R)-3-[6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[3,2-c]pyridin-1-yl]-2-methylbutanoic acid

(2R,3R)-3-[6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[3,2-c]pyridin-1-yl]-2-methylbutanoic acid (PubChem CID 146523393) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is (2R,3R)-3-[6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[3,2-c]pyridin-1-yl]-2-methylbutanoic acid.

Molecular Properties

• Compound Name: (2R,3R)-3-[6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[3,2-c]pyridin-1-yl]-2-methylbutanoic acid
• PubChem CID: 146523393
• Molecular Formula: C19H17FN4O2
• Molecular Weight: 352.37 g/mol
• Exact Mass: 352.13
• IUPAC Name: (2R,3R)-3-[6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[3,2-c]pyridin-1-yl]-2-methylbutanoic acid
• SMILES: C[C@H]([C@@H](C)C(=O)O)n1ccc2cnc(-c3c[nH]c4ncc(F)cc34)cc21
• InChI: InChI=1S/C19H17FN4O2/c1-10(19(25)26)11(2)24-4-3-12-7-21-16(6-17(12)24)15-9-23-18-14(15)5-13(20)8-22-18/h3-11H,1-2H3,(H,22,23)(H,25,26)/t10-,11-/m1/s1
• InChIKey: OKNWAHJMGKJQJV-GHMZBOCLSA-N
• XLogP: 4.00
• TPSA: 83.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.37
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[3,2-c]pyridin-1-yl]-2-methylbutanoic acid?

The IUPAC name of (2R,3R)-3-[6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[3,2-c]pyridin-1-yl]-2-methylbutanoic acid (CID 146523393) is (2R,3R)-3-[6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[3,2-c]pyridin-1-yl]-2-methylbutanoic acid.

What is the SMILES notation for (2R,3R)-3-[6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[3,2-c]pyridin-1-yl]-2-methylbutanoic acid?

The canonical SMILES for (2R,3R)-3-[6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[3,2-c]pyridin-1-yl]-2-methylbutanoic acid is C[C@H]([C@@H](C)C(=O)O)n1ccc2cnc(-c3c[nH]c4ncc(F)cc34)cc21.

What is the InChIKey of (2R,3R)-3-[6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[3,2-c]pyridin-1-yl]-2-methylbutanoic acid?

The InChIKey is OKNWAHJMGKJQJV-GHMZBOCLSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-10(19(25)26)11(2)24-4-3-12-7-21-16(6-17(12)24)15-9-23-18-14(15)5-13(20)8-22-18/h3-11H,1-2H3,(H,22,23)(H,25,26)/t10-,11-/m1/s1.

What are the key properties of (2R,3R)-3-[6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[3,2-c]pyridin-1-yl]-2-methylbutanoic acid?

(2R,3R)-3-[6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[3,2-c]pyridin-1-yl]-2-methylbutanoic acid has a molecular weight of 352.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-3-[6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[3,2-c]pyridin-1-yl]-2-methylbutanoic acid is sourced from PubChem (CID 146523393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).