2-(6-methoxycarbonyl-2,3-diphenylpyrrolo[2,3-b]pyridin-1-yl)acetic acid

C23H18N2O4 — CID 69440229

IUPAC2-(6-methoxycarbonyl-2,3-diphenylpyrrolo[2,3-b]pyridin-1-yl)acetic acid
SMILESCOC(=O)c1ccc2c(-c3ccccc3)c(-c3ccccc3)n(CC(=O)O)c2n1
InChIInChI=1S/C23H18N2O4/c1-29-23(28)18-13-12-17-20(15-8-4-2-5-9-15)21(16-10-6-3-7-11-16)25(14-19(26)27)22(17)24-18/h2-13H,14H2,1H3,(H,26,27)
InChIKeyNXVJFEYWMKZRQJ-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.24
Rot. Bonds5

About 2-(6-methoxycarbonyl-2,3-diphenylpyrrolo[2,3-b]pyridin-1-yl)acetic acid

2-(6-methoxycarbonyl-2,3-diphenylpyrrolo[2,3-b]pyridin-1-yl)acetic acid (PubChem CID 69440229) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-(6-methoxycarbonyl-2,3-diphenylpyrrolo[2,3-b]pyridin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methoxycarbonyl-2,3-diphenylpyrrolo[2,3-b]pyridin-1-yl)acetic acid
PubChem CID69440229
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name2-(6-methoxycarbonyl-2,3-diphenylpyrrolo[2,3-b]pyridin-1-yl)acetic acid
SMILESCOC(=O)c1ccc2c(-c3ccccc3)c(-c3ccccc3)n(CC(=O)O)c2n1
InChIInChI=1S/C23H18N2O4/c1-29-23(28)18-13-12-17-20(15-8-4-2-5-9-15)21(16-10-6-3-7-11-16)25(14-19(26)27)22(17)24-18/h2-13H,14H2,1H3,(H,26,27)
InChIKeyNXVJFEYWMKZRQJ-UHFFFAOYSA-N
XLogP4.24
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxycarbonyl-2,3-diphenylpyrrolo[2,3-b]pyridin-1-yl)acetic acid?
The IUPAC name of 2-(6-methoxycarbonyl-2,3-diphenylpyrrolo[2,3-b]pyridin-1-yl)acetic acid (CID 69440229) is 2-(6-methoxycarbonyl-2,3-diphenylpyrrolo[2,3-b]pyridin-1-yl)acetic acid.
What is the SMILES notation for 2-(6-methoxycarbonyl-2,3-diphenylpyrrolo[2,3-b]pyridin-1-yl)acetic acid?
The canonical SMILES for 2-(6-methoxycarbonyl-2,3-diphenylpyrrolo[2,3-b]pyridin-1-yl)acetic acid is COC(=O)c1ccc2c(-c3ccccc3)c(-c3ccccc3)n(CC(=O)O)c2n1.
What is the InChIKey of 2-(6-methoxycarbonyl-2,3-diphenylpyrrolo[2,3-b]pyridin-1-yl)acetic acid?
The InChIKey is NXVJFEYWMKZRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-29-23(28)18-13-12-17-20(15-8-4-2-5-9-15)21(16-10-6-3-7-11-16)25(14-19(26)27)22(17)24-18/h2-13H,14H2,1H3,(H,26,27).
What are the key properties of 2-(6-methoxycarbonyl-2,3-diphenylpyrrolo[2,3-b]pyridin-1-yl)acetic acid?
2-(6-methoxycarbonyl-2,3-diphenylpyrrolo[2,3-b]pyridin-1-yl)acetic acid has a molecular weight of 386.41 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxycarbonyl-2,3-diphenylpyrrolo[2,3-b]pyridin-1-yl)acetic acid is sourced from PubChem (CID 69440229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).