2-[3-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)indol-1-yl]acetic acid

C18H13N5O2 — CID 59784715

IUPAC2-[3-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)indol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(-c2nc3cc4c[nH][nH]c4cc3n2)c2ccccc21
InChIInChI=1S/C18H13N5O2/c24-17(25)9-23-8-12(11-3-1-2-4-16(11)23)18-20-14-5-10-7-19-22-13(10)6-15(14)21-18/h1-8,19,22H,9H2,(H,24,25)
InChIKeyCFIFBLKAPZCIKX-UHFFFAOYSA-N
MW331.34 g/mol
LogP3.15
Rot. Bonds3

About 2-[3-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)indol-1-yl]acetic acid

2-[3-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)indol-1-yl]acetic acid (PubChem CID 59784715) has the molecular formula C18H13N5O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-[3-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)indol-1-yl]acetic acid
PubChem CID59784715
Molecular FormulaC18H13N5O2
Molecular Weight331.34 g/mol
Exact Mass331.11
IUPAC Name2-[3-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)indol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(-c2nc3cc4c[nH][nH]c4cc3n2)c2ccccc21
InChIInChI=1S/C18H13N5O2/c24-17(25)9-23-8-12(11-3-1-2-4-16(11)23)18-20-14-5-10-7-19-22-13(10)6-15(14)21-18/h1-8,19,22H,9H2,(H,24,25)
InChIKeyCFIFBLKAPZCIKX-UHFFFAOYSA-N
XLogP3.15
TPSA99.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)indol-1-yl]acetic acid?
The IUPAC name of 2-[3-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)indol-1-yl]acetic acid (CID 59784715) is 2-[3-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)indol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)indol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)indol-1-yl]acetic acid is O=C(O)Cn1cc(-c2nc3cc4c[nH][nH]c4cc3n2)c2ccccc21.
What is the InChIKey of 2-[3-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)indol-1-yl]acetic acid?
The InChIKey is CFIFBLKAPZCIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2/c24-17(25)9-23-8-12(11-3-1-2-4-16(11)23)18-20-14-5-10-7-19-22-13(10)6-15(14)21-18/h1-8,19,22H,9H2,(H,24,25).
What are the key properties of 2-[3-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)indol-1-yl]acetic acid?
2-[3-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)indol-1-yl]acetic acid has a molecular weight of 331.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)indol-1-yl]acetic acid is sourced from PubChem (CID 59784715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).