2-[5-(2-methylindazol-6-yl)indol-1-yl]acetic acid

C18H15N3O2 — CID 167794477

IUPAC2-[5-(2-methylindazol-6-yl)indol-1-yl]acetic acid
SMILESCn1cc2ccc(-c3ccc4c(ccn4CC(=O)O)c3)cc2n1
InChIInChI=1S/C18H15N3O2/c1-20-10-15-3-2-13(9-16(15)19-20)12-4-5-17-14(8-12)6-7-21(17)11-18(22)23/h2-10H,11H2,1H3,(H,22,23)
InChIKeyQULNDXZHYSFESZ-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.28
Rot. Bonds3

About 2-[5-(2-methylindazol-6-yl)indol-1-yl]acetic acid

2-[5-(2-methylindazol-6-yl)indol-1-yl]acetic acid (PubChem CID 167794477) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[5-(2-methylindazol-6-yl)indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-methylindazol-6-yl)indol-1-yl]acetic acid
PubChem CID167794477
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name2-[5-(2-methylindazol-6-yl)indol-1-yl]acetic acid
SMILESCn1cc2ccc(-c3ccc4c(ccn4CC(=O)O)c3)cc2n1
InChIInChI=1S/C18H15N3O2/c1-20-10-15-3-2-13(9-16(15)19-20)12-4-5-17-14(8-12)6-7-21(17)11-18(22)23/h2-10H,11H2,1H3,(H,22,23)
InChIKeyQULNDXZHYSFESZ-UHFFFAOYSA-N
XLogP3.28
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylindazol-6-yl)indol-1-yl]acetic acid?
The IUPAC name of 2-[5-(2-methylindazol-6-yl)indol-1-yl]acetic acid (CID 167794477) is 2-[5-(2-methylindazol-6-yl)indol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-methylindazol-6-yl)indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(2-methylindazol-6-yl)indol-1-yl]acetic acid is Cn1cc2ccc(-c3ccc4c(ccn4CC(=O)O)c3)cc2n1.
What is the InChIKey of 2-[5-(2-methylindazol-6-yl)indol-1-yl]acetic acid?
The InChIKey is QULNDXZHYSFESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-20-10-15-3-2-13(9-16(15)19-20)12-4-5-17-14(8-12)6-7-21(17)11-18(22)23/h2-10H,11H2,1H3,(H,22,23).
What are the key properties of 2-[5-(2-methylindazol-6-yl)indol-1-yl]acetic acid?
2-[5-(2-methylindazol-6-yl)indol-1-yl]acetic acid has a molecular weight of 305.34 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylindazol-6-yl)indol-1-yl]acetic acid is sourced from PubChem (CID 167794477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).