6-[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]pyridine-3-carboxylic acid

C20H18N4O4 — CID 11280376

IUPAC6-[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2n[nH]c3c2CN(C(=O)C(CO)c2ccccc2)C3)nc1
InChIInChI=1S/C20H18N4O4/c25-11-15(12-4-2-1-3-5-12)19(26)24-9-14-17(10-24)22-23-18(14)16-7-6-13(8-21-16)20(27)28/h1-8,15,25H,9-11H2,(H,22,23)(H,27,28)
InChIKeyNOLAPWRFIDTTNY-UHFFFAOYSA-N
MW378.39 g/mol
LogP1.79
Rot. Bonds5

About 6-[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]pyridine-3-carboxylic acid

6-[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]pyridine-3-carboxylic acid (PubChem CID 11280376) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is 6-[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]pyridine-3-carboxylic acid
PubChem CID11280376
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name6-[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2n[nH]c3c2CN(C(=O)C(CO)c2ccccc2)C3)nc1
InChIInChI=1S/C20H18N4O4/c25-11-15(12-4-2-1-3-5-12)19(26)24-9-14-17(10-24)22-23-18(14)16-7-6-13(8-21-16)20(27)28/h1-8,15,25H,9-11H2,(H,22,23)(H,27,28)
InChIKeyNOLAPWRFIDTTNY-UHFFFAOYSA-N
XLogP1.79
TPSA119.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]pyridine-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 6-[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]pyridine-3-carboxylic acid (CID 11280376) is 6-[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2n[nH]c3c2CN(C(=O)C(CO)c2ccccc2)C3)nc1.
What is the InChIKey of 6-[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]pyridine-3-carboxylic acid?
The InChIKey is NOLAPWRFIDTTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c25-11-15(12-4-2-1-3-5-12)19(26)24-9-14-17(10-24)22-23-18(14)16-7-6-13(8-21-16)20(27)28/h1-8,15,25H,9-11H2,(H,22,23)(H,27,28).
What are the key properties of 6-[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]pyridine-3-carboxylic acid?
6-[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]pyridine-3-carboxylic acid has a molecular weight of 378.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 11280376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).