6-amino-2-fluoro-3-(3'-hydroxy-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-N,N-dimethylbenzamide

C20H23FN4O2 — CID 146537525

About 6-amino-2-fluoro-3-(3'-hydroxy-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-N,N-dimethylbenzamide

6-amino-2-fluoro-3-(3'-hydroxy-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-N,N-dimethylbenzamide (PubChem CID 146537525) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 6-amino-2-fluoro-3-(3'-hydroxy-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 6-amino-2-fluoro-3-(3'-hydroxy-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-N,N-dimethylbenzamide
• PubChem CID: 146537525
• Molecular Formula: C20H23FN4O2
• Molecular Weight: 370.43 g/mol
• Exact Mass: 370.18
• IUPAC Name: 6-amino-2-fluoro-3-(3'-hydroxy-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-N,N-dimethylbenzamide
• SMILES: CN(C)C(=O)c1c(N)ccc(-c2cnc3c(c2)C2(CN3)CC(C)(O)C2)c1F
• InChI: InChI=1S/C20H23FN4O2/c1-19(27)8-20(9-19)10-24-17-13(20)6-11(7-23-17)12-4-5-14(22)15(16(12)21)18(26)25(2)3/h4-7,27H,8-10,22H2,1-3H3,(H,23,24)
• InChIKey: OVWCGWWZGXAGET-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 91.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.43
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-fluoro-3-(3'-hydroxy-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-N,N-dimethylbenzamide?

The IUPAC name of 6-amino-2-fluoro-3-(3'-hydroxy-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-N,N-dimethylbenzamide (CID 146537525) is 6-amino-2-fluoro-3-(3'-hydroxy-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-N,N-dimethylbenzamide.

What is the SMILES notation for 6-amino-2-fluoro-3-(3'-hydroxy-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-N,N-dimethylbenzamide?

The canonical SMILES for 6-amino-2-fluoro-3-(3'-hydroxy-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1c(N)ccc(-c2cnc3c(c2)C2(CN3)CC(C)(O)C2)c1F.

What is the InChIKey of 6-amino-2-fluoro-3-(3'-hydroxy-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-N,N-dimethylbenzamide?

The InChIKey is OVWCGWWZGXAGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-19(27)8-20(9-19)10-24-17-13(20)6-11(7-23-17)12-4-5-14(22)15(16(12)21)18(26)25(2)3/h4-7,27H,8-10,22H2,1-3H3,(H,23,24).

What are the key properties of 6-amino-2-fluoro-3-(3'-hydroxy-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-N,N-dimethylbenzamide?

6-amino-2-fluoro-3-(3'-hydroxy-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-N,N-dimethylbenzamide has a molecular weight of 370.43 g/mol, XLogP of 2.38, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-fluoro-3-(3'-hydroxy-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 146537525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).