2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetic acid

C23H20N2O4 — CID 71615941

IUPAC2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetic acid
SMILESCn1cc(-c2cc(CC(=O)O)ccc2OCc2ccccc2)c2cc[nH]c2c1=O
InChIInChI=1S/C23H20N2O4/c1-25-13-19(17-9-10-24-22(17)23(25)28)18-11-16(12-21(26)27)7-8-20(18)29-14-15-5-3-2-4-6-15/h2-11,13,24H,12,14H2,1H3,(H,26,27)
InChIKeyXECJYYMTXAGKGT-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.74
Rot. Bonds6

About 2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetic acid

2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetic acid (PubChem CID 71615941) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetic acid
PubChem CID71615941
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetic acid
SMILESCn1cc(-c2cc(CC(=O)O)ccc2OCc2ccccc2)c2cc[nH]c2c1=O
InChIInChI=1S/C23H20N2O4/c1-25-13-19(17-9-10-24-22(17)23(25)28)18-11-16(12-21(26)27)7-8-20(18)29-14-15-5-3-2-4-6-15/h2-11,13,24H,12,14H2,1H3,(H,26,27)
InChIKeyXECJYYMTXAGKGT-UHFFFAOYSA-N
XLogP3.74
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetic acid?
The IUPAC name of 2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetic acid (CID 71615941) is 2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetic acid?
The canonical SMILES for 2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetic acid is Cn1cc(-c2cc(CC(=O)O)ccc2OCc2ccccc2)c2cc[nH]c2c1=O.
What is the InChIKey of 2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetic acid?
The InChIKey is XECJYYMTXAGKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-25-13-19(17-9-10-24-22(17)23(25)28)18-11-16(12-21(26)27)7-8-20(18)29-14-15-5-3-2-4-6-15/h2-11,13,24H,12,14H2,1H3,(H,26,27).
What are the key properties of 2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetic acid?
2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetic acid has a molecular weight of 388.42 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]acetic acid is sourced from PubChem (CID 71615941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).