2-[1-(2H-isoindol-1-ylmethyl)indazol-3-yl]acetic acid

C18H15N3O2 — CID 19013396

IUPAC2-[1-(2H-isoindol-1-ylmethyl)indazol-3-yl]acetic acid
SMILESO=C(O)Cc1nn(Cc2[nH]cc3ccccc23)c2ccccc12
InChIInChI=1S/C18H15N3O2/c22-18(23)9-15-14-7-3-4-8-17(14)21(20-15)11-16-13-6-2-1-5-12(13)10-19-16/h1-8,10,19H,9,11H2,(H,22,23)
InChIKeyVLAXSNYHUGEPLJ-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.19
Rot. Bonds4

About 2-[1-(2H-isoindol-1-ylmethyl)indazol-3-yl]acetic acid

2-[1-(2H-isoindol-1-ylmethyl)indazol-3-yl]acetic acid (PubChem CID 19013396) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[1-(2H-isoindol-1-ylmethyl)indazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2H-isoindol-1-ylmethyl)indazol-3-yl]acetic acid
PubChem CID19013396
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name2-[1-(2H-isoindol-1-ylmethyl)indazol-3-yl]acetic acid
SMILESO=C(O)Cc1nn(Cc2[nH]cc3ccccc23)c2ccccc12
InChIInChI=1S/C18H15N3O2/c22-18(23)9-15-14-7-3-4-8-17(14)21(20-15)11-16-13-6-2-1-5-12(13)10-19-16/h1-8,10,19H,9,11H2,(H,22,23)
InChIKeyVLAXSNYHUGEPLJ-UHFFFAOYSA-N
XLogP3.19
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2H-isoindol-1-ylmethyl)indazol-3-yl]acetic acid?
The IUPAC name of 2-[1-(2H-isoindol-1-ylmethyl)indazol-3-yl]acetic acid (CID 19013396) is 2-[1-(2H-isoindol-1-ylmethyl)indazol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2H-isoindol-1-ylmethyl)indazol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2H-isoindol-1-ylmethyl)indazol-3-yl]acetic acid is O=C(O)Cc1nn(Cc2[nH]cc3ccccc23)c2ccccc12.
What is the InChIKey of 2-[1-(2H-isoindol-1-ylmethyl)indazol-3-yl]acetic acid?
The InChIKey is VLAXSNYHUGEPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-18(23)9-15-14-7-3-4-8-17(14)21(20-15)11-16-13-6-2-1-5-12(13)10-19-16/h1-8,10,19H,9,11H2,(H,22,23).
What are the key properties of 2-[1-(2H-isoindol-1-ylmethyl)indazol-3-yl]acetic acid?
2-[1-(2H-isoindol-1-ylmethyl)indazol-3-yl]acetic acid has a molecular weight of 305.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2H-isoindol-1-ylmethyl)indazol-3-yl]acetic acid is sourced from PubChem (CID 19013396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).