2-[4-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]acetic acid

C22H15N3O2 — CID 11953086

IUPAC2-[4-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]acetic acid
SMILESN#Cc1cccc(-c2cnc3[nH]cc(-c4ccc(CC(=O)O)cc4)c3c2)c1
InChIInChI=1S/C22H15N3O2/c23-11-15-2-1-3-17(8-15)18-10-19-20(13-25-22(19)24-12-18)16-6-4-14(5-7-16)9-21(26)27/h1-8,10,12-13H,9H2,(H,24,25)(H,26,27)
InChIKeyUDYDMORVOVGYCR-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.40
Rot. Bonds4

About 2-[4-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]acetic acid

2-[4-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]acetic acid (PubChem CID 11953086) has the molecular formula C22H15N3O2 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[4-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]acetic acid
PubChem CID11953086
Molecular FormulaC22H15N3O2
Molecular Weight353.38 g/mol
Exact Mass353.12
IUPAC Name2-[4-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]acetic acid
SMILESN#Cc1cccc(-c2cnc3[nH]cc(-c4ccc(CC(=O)O)cc4)c3c2)c1
InChIInChI=1S/C22H15N3O2/c23-11-15-2-1-3-17(8-15)18-10-19-20(13-25-22(19)24-12-18)16-6-4-14(5-7-16)9-21(26)27/h1-8,10,12-13H,9H2,(H,24,25)(H,26,27)
InChIKeyUDYDMORVOVGYCR-UHFFFAOYSA-N
XLogP4.40
TPSA89.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]acetic acid?
The IUPAC name of 2-[4-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]acetic acid (CID 11953086) is 2-[4-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]acetic acid is N#Cc1cccc(-c2cnc3[nH]cc(-c4ccc(CC(=O)O)cc4)c3c2)c1.
What is the InChIKey of 2-[4-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]acetic acid?
The InChIKey is UDYDMORVOVGYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2/c23-11-15-2-1-3-17(8-15)18-10-19-20(13-25-22(19)24-12-18)16-6-4-14(5-7-16)9-21(26)27/h1-8,10,12-13H,9H2,(H,24,25)(H,26,27).
What are the key properties of 2-[4-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]acetic acid?
2-[4-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]acetic acid has a molecular weight of 353.38 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]acetic acid is sourced from PubChem (CID 11953086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).