2-benzyl-3-hydroxy-3-(1H-indazol-5-yl)isoindol-1-one

C22H17N3O2 — CID 67044277

IUPAC2-benzyl-3-hydroxy-3-(1H-indazol-5-yl)isoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ccc3[nH]ncc3c2)N1Cc1ccccc1
InChIInChI=1S/C22H17N3O2/c26-21-18-8-4-5-9-19(18)22(27,25(21)14-15-6-2-1-3-7-15)17-10-11-20-16(12-17)13-23-24-20/h1-13,27H,14H2,(H,23,24)
InChIKeyGWVCKDGKNUDQHN-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.41
Rot. Bonds3

About 2-benzyl-3-hydroxy-3-(1H-indazol-5-yl)isoindol-1-one

2-benzyl-3-hydroxy-3-(1H-indazol-5-yl)isoindol-1-one (PubChem CID 67044277) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-benzyl-3-hydroxy-3-(1H-indazol-5-yl)isoindol-1-one.

Molecular Properties

Compound Name2-benzyl-3-hydroxy-3-(1H-indazol-5-yl)isoindol-1-one
PubChem CID67044277
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name2-benzyl-3-hydroxy-3-(1H-indazol-5-yl)isoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ccc3[nH]ncc3c2)N1Cc1ccccc1
InChIInChI=1S/C22H17N3O2/c26-21-18-8-4-5-9-19(18)22(27,25(21)14-15-6-2-1-3-7-15)17-10-11-20-16(12-17)13-23-24-20/h1-13,27H,14H2,(H,23,24)
InChIKeyGWVCKDGKNUDQHN-UHFFFAOYSA-N
XLogP3.41
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-hydroxy-3-(1H-indazol-5-yl)isoindol-1-one?
The IUPAC name of 2-benzyl-3-hydroxy-3-(1H-indazol-5-yl)isoindol-1-one (CID 67044277) is 2-benzyl-3-hydroxy-3-(1H-indazol-5-yl)isoindol-1-one.
What is the SMILES notation for 2-benzyl-3-hydroxy-3-(1H-indazol-5-yl)isoindol-1-one?
The canonical SMILES for 2-benzyl-3-hydroxy-3-(1H-indazol-5-yl)isoindol-1-one is O=C1c2ccccc2C(O)(c2ccc3[nH]ncc3c2)N1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-hydroxy-3-(1H-indazol-5-yl)isoindol-1-one?
The InChIKey is GWVCKDGKNUDQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c26-21-18-8-4-5-9-19(18)22(27,25(21)14-15-6-2-1-3-7-15)17-10-11-20-16(12-17)13-23-24-20/h1-13,27H,14H2,(H,23,24).
What are the key properties of 2-benzyl-3-hydroxy-3-(1H-indazol-5-yl)isoindol-1-one?
2-benzyl-3-hydroxy-3-(1H-indazol-5-yl)isoindol-1-one has a molecular weight of 355.40 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-hydroxy-3-(1H-indazol-5-yl)isoindol-1-one is sourced from PubChem (CID 67044277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).