2-anilino-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylic acid

C19H13N3O4 — CID 136624787

IUPAC2-anilino-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylic acid
SMILESO=C(O)c1c(Nc2ccccc2)oc(/C=C2\C=Nc3ncccc32)c1O
InChIInChI=1S/C19H13N3O4/c23-16-14(9-11-10-21-17-13(11)7-4-8-20-17)26-18(15(16)19(24)25)22-12-5-2-1-3-6-12/h1-10,22-23H,(H,24,25)/b11-9+
InChIKeyDQYWGLAWCMKTCV-PKNBQFBNSA-N
MW347.33 g/mol
LogP4.08
Rot. Bonds4

About 2-anilino-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylic acid

2-anilino-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylic acid (PubChem CID 136624787) has the molecular formula C19H13N3O4 and a molecular weight of 347.33 g/mol. Its IUPAC name is 2-anilino-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-anilino-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylic acid
PubChem CID136624787
Molecular FormulaC19H13N3O4
Molecular Weight347.33 g/mol
Exact Mass347.09
IUPAC Name2-anilino-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylic acid
SMILESO=C(O)c1c(Nc2ccccc2)oc(/C=C2\C=Nc3ncccc32)c1O
InChIInChI=1S/C19H13N3O4/c23-16-14(9-11-10-21-17-13(11)7-4-8-20-17)26-18(15(16)19(24)25)22-12-5-2-1-3-6-12/h1-10,22-23H,(H,24,25)/b11-9+
InChIKeyDQYWGLAWCMKTCV-PKNBQFBNSA-N
XLogP4.08
TPSA107.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-anilino-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylic acid?
The IUPAC name of 2-anilino-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylic acid (CID 136624787) is 2-anilino-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-anilino-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylic acid?
The canonical SMILES for 2-anilino-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylic acid is O=C(O)c1c(Nc2ccccc2)oc(/C=C2\C=Nc3ncccc32)c1O.
What is the InChIKey of 2-anilino-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylic acid?
The InChIKey is DQYWGLAWCMKTCV-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H13N3O4/c23-16-14(9-11-10-21-17-13(11)7-4-8-20-17)26-18(15(16)19(24)25)22-12-5-2-1-3-6-12/h1-10,22-23H,(H,24,25)/b11-9+.
What are the key properties of 2-anilino-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylic acid?
2-anilino-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylic acid has a molecular weight of 347.33 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylic acid is sourced from PubChem (CID 136624787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).