acetic acid;4-[5-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]indazol-1-yl]-2-methylbutan-2-ol;3-methyl-2,3-dihydro-1-benzofuran-6-ol

C32H37FN2O6 — CID 144638141

About acetic acid;4-[5-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]indazol-1-yl]-2-methylbutan-2-ol;3-methyl-2,3-dihydro-1-benzofuran-6-ol

acetic acid;4-[5-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]indazol-1-yl]-2-methylbutan-2-ol;3-methyl-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 144638141) has the molecular formula C32H37FN2O6 and a molecular weight of 564.65 g/mol. Its IUPAC name is acetic acid;4-[5-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]indazol-1-yl]-2-methylbutan-2-ol;3-methyl-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

• Compound Name: acetic acid;4-[5-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]indazol-1-yl]-2-methylbutan-2-ol;3-methyl-2,3-dihydro-1-benzofuran-6-ol
• PubChem CID: 144638141
• Molecular Formula: C32H37FN2O6
• Molecular Weight: 564.65 g/mol
• Exact Mass: 564.26
• IUPAC Name: acetic acid;4-[5-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]indazol-1-yl]-2-methylbutan-2-ol;3-methyl-2,3-dihydro-1-benzofuran-6-ol
• SMILES: CC(=O)O.CC(C)(O)CCn1ncc2cc(Oc3ccc(F)c4c3CCC4)ccc21.CC1COc2cc(O)ccc21
• InChI: InChI=1S/C21H23FN2O2.C9H10O2.C2H4O2/c1-21(2,25)10-11-24-19-8-6-15(12-14(19)13-23-24)26-20-9-7-18(22)16-4-3-5-17(16)20;1-6-5-11-9-4-7(10)2-3-8(6)9;1-2(3)4/h6-9,12-13,25H,3-5,10-11H2,1-2H3;2-4,6,10H,5H2,1H3;1H3,(H,3,4)
• InChIKey: IDQXKCCABZWUOC-UHFFFAOYSA-N
• XLogP: 6.60
• TPSA: 114.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.65
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-[5-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]indazol-1-yl]-2-methylbutan-2-ol;3-methyl-2,3-dihydro-1-benzofuran-6-ol?

The IUPAC name of acetic acid;4-[5-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]indazol-1-yl]-2-methylbutan-2-ol;3-methyl-2,3-dihydro-1-benzofuran-6-ol (CID 144638141) is acetic acid;4-[5-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]indazol-1-yl]-2-methylbutan-2-ol;3-methyl-2,3-dihydro-1-benzofuran-6-ol.

What is the SMILES notation for acetic acid;4-[5-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]indazol-1-yl]-2-methylbutan-2-ol;3-methyl-2,3-dihydro-1-benzofuran-6-ol?

The canonical SMILES for acetic acid;4-[5-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]indazol-1-yl]-2-methylbutan-2-ol;3-methyl-2,3-dihydro-1-benzofuran-6-ol is CC(=O)O.CC(C)(O)CCn1ncc2cc(Oc3ccc(F)c4c3CCC4)ccc21.CC1COc2cc(O)ccc21.

What is the InChIKey of acetic acid;4-[5-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]indazol-1-yl]-2-methylbutan-2-ol;3-methyl-2,3-dihydro-1-benzofuran-6-ol?

The InChIKey is IDQXKCCABZWUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2.C9H10O2.C2H4O2/c1-21(2,25)10-11-24-19-8-6-15(12-14(19)13-23-24)26-20-9-7-18(22)16-4-3-5-17(16)20;1-6-5-11-9-4-7(10)2-3-8(6)9;1-2(3)4/h6-9,12-13,25H,3-5,10-11H2,1-2H3;2-4,6,10H,5H2,1H3;1H3,(H,3,4).

What are the key properties of acetic acid;4-[5-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]indazol-1-yl]-2-methylbutan-2-ol;3-methyl-2,3-dihydro-1-benzofuran-6-ol?

acetic acid;4-[5-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]indazol-1-yl]-2-methylbutan-2-ol;3-methyl-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 564.65 g/mol, XLogP of 6.60, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;4-[5-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]indazol-1-yl]-2-methylbutan-2-ol;3-methyl-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 144638141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).