2-[1-[6-[3-(carboxymethyl)indol-1-yl]pyrazin-2-yl]indol-3-yl]acetic acid

C24H18N4O4 — CID 11495593

IUPAC2-[1-[6-[3-(carboxymethyl)indol-1-yl]pyrazin-2-yl]indol-3-yl]acetic acid
SMILESO=C(O)Cc1cn(-c2cncc(-n3cc(CC(=O)O)c4ccccc43)n2)c2ccccc12
InChIInChI=1S/C24H18N4O4/c29-23(30)9-15-13-27(19-7-3-1-5-17(15)19)21-11-25-12-22(26-21)28-14-16(10-24(31)32)18-6-2-4-8-20(18)28/h1-8,11-14H,9-10H2,(H,29,30)(H,31,32)
InChIKeyWWRNKHNDRJCAMG-UHFFFAOYSA-N
MW426.43 g/mol
LogP3.62
Rot. Bonds6

About 2-[1-[6-[3-(carboxymethyl)indol-1-yl]pyrazin-2-yl]indol-3-yl]acetic acid

2-[1-[6-[3-(carboxymethyl)indol-1-yl]pyrazin-2-yl]indol-3-yl]acetic acid (PubChem CID 11495593) has the molecular formula C24H18N4O4 and a molecular weight of 426.43 g/mol. Its IUPAC name is 2-[1-[6-[3-(carboxymethyl)indol-1-yl]pyrazin-2-yl]indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[6-[3-(carboxymethyl)indol-1-yl]pyrazin-2-yl]indol-3-yl]acetic acid
PubChem CID11495593
Molecular FormulaC24H18N4O4
Molecular Weight426.43 g/mol
Exact Mass426.13
IUPAC Name2-[1-[6-[3-(carboxymethyl)indol-1-yl]pyrazin-2-yl]indol-3-yl]acetic acid
SMILESO=C(O)Cc1cn(-c2cncc(-n3cc(CC(=O)O)c4ccccc43)n2)c2ccccc12
InChIInChI=1S/C24H18N4O4/c29-23(30)9-15-13-27(19-7-3-1-5-17(15)19)21-11-25-12-22(26-21)28-14-16(10-24(31)32)18-6-2-4-8-20(18)28/h1-8,11-14H,9-10H2,(H,29,30)(H,31,32)
InChIKeyWWRNKHNDRJCAMG-UHFFFAOYSA-N
XLogP3.62
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-[3-(carboxymethyl)indol-1-yl]pyrazin-2-yl]indol-3-yl]acetic acid?
The IUPAC name of 2-[1-[6-[3-(carboxymethyl)indol-1-yl]pyrazin-2-yl]indol-3-yl]acetic acid (CID 11495593) is 2-[1-[6-[3-(carboxymethyl)indol-1-yl]pyrazin-2-yl]indol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[6-[3-(carboxymethyl)indol-1-yl]pyrazin-2-yl]indol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[6-[3-(carboxymethyl)indol-1-yl]pyrazin-2-yl]indol-3-yl]acetic acid is O=C(O)Cc1cn(-c2cncc(-n3cc(CC(=O)O)c4ccccc43)n2)c2ccccc12.
What is the InChIKey of 2-[1-[6-[3-(carboxymethyl)indol-1-yl]pyrazin-2-yl]indol-3-yl]acetic acid?
The InChIKey is WWRNKHNDRJCAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O4/c29-23(30)9-15-13-27(19-7-3-1-5-17(15)19)21-11-25-12-22(26-21)28-14-16(10-24(31)32)18-6-2-4-8-20(18)28/h1-8,11-14H,9-10H2,(H,29,30)(H,31,32).
What are the key properties of 2-[1-[6-[3-(carboxymethyl)indol-1-yl]pyrazin-2-yl]indol-3-yl]acetic acid?
2-[1-[6-[3-(carboxymethyl)indol-1-yl]pyrazin-2-yl]indol-3-yl]acetic acid has a molecular weight of 426.43 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-[3-(carboxymethyl)indol-1-yl]pyrazin-2-yl]indol-3-yl]acetic acid is sourced from PubChem (CID 11495593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).