[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone

C24H23FN6O3 — CID 154689153

About [2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone

[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 154689153) has the molecular formula C24H23FN6O3 and a molecular weight of 462.49 g/mol. Its IUPAC name is [2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

• Compound Name: [2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone
• PubChem CID: 154689153
• Molecular Formula: C24H23FN6O3
• Molecular Weight: 462.49 g/mol
• Exact Mass: 462.18
• IUPAC Name: [2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone
• SMILES: CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C(=O)N3CC(O)C3)C4)n[nH]c2c1
• InChI: InChI=1S/C24H23FN6O3/c1-2-12-6-21(33)17(25)7-16(12)13-3-4-15-18(5-13)28-29-22(15)23-26-19-10-31(11-20(19)27-23)24(34)30-8-14(32)9-30/h3-7,14,32-33H,2,8-11H2,1H3,(H,26,27)(H,28,29)
• InChIKey: JLQSWGFHOKZCMG-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 121.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.49
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone?

The IUPAC name of [2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone (CID 154689153) is [2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone.

What is the SMILES notation for [2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone?

The canonical SMILES for [2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone is CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C(=O)N3CC(O)C3)C4)n[nH]c2c1.

What is the InChIKey of [2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone?

The InChIKey is JLQSWGFHOKZCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O3/c1-2-12-6-21(33)17(25)7-16(12)13-3-4-15-18(5-13)28-29-22(15)23-26-19-10-31(11-20(19)27-23)24(34)30-8-14(32)9-30/h3-7,14,32-33H,2,8-11H2,1H3,(H,26,27)(H,28,29).

What are the key properties of [2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone?

[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 462.49 g/mol, XLogP of 3.14, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 154689153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).