5-[(3R)-3-(furan-2-yl)-3-phenylpropanoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C21H21N3O4 — CID 95200224

IUPAC5-[(3R)-3-(furan-2-yl)-3-phenylpropanoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2c1CCN(C(=O)C[C@H](c1ccccc1)c1ccco1)C2
InChIInChI=1S/C21H21N3O4/c1-23-17-9-10-24(13-16(17)20(22-23)21(26)27)19(25)12-15(18-8-5-11-28-18)14-6-3-2-4-7-14/h2-8,11,15H,9-10,12-13H2,1H3,(H,26,27)/t15-/m1/s1
InChIKeyUEEFQECIYWJYIT-OAHLLOKOSA-N
MW379.42 g/mol
LogP2.82
Rot. Bonds5

About 5-[(3R)-3-(furan-2-yl)-3-phenylpropanoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

5-[(3R)-3-(furan-2-yl)-3-phenylpropanoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 95200224) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 5-[(3R)-3-(furan-2-yl)-3-phenylpropanoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3R)-3-(furan-2-yl)-3-phenylpropanoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID95200224
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name5-[(3R)-3-(furan-2-yl)-3-phenylpropanoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2c1CCN(C(=O)C[C@H](c1ccccc1)c1ccco1)C2
InChIInChI=1S/C21H21N3O4/c1-23-17-9-10-24(13-16(17)20(22-23)21(26)27)19(25)12-15(18-8-5-11-28-18)14-6-3-2-4-7-14/h2-8,11,15H,9-10,12-13H2,1H3,(H,26,27)/t15-/m1/s1
InChIKeyUEEFQECIYWJYIT-OAHLLOKOSA-N
XLogP2.82
TPSA88.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(3R)-3-(furan-2-yl)-3-phenylpropanoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]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 5-[(3R)-3-(furan-2-yl)-3-phenylpropanoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(3R)-3-(furan-2-yl)-3-phenylpropanoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 95200224) is 5-[(3R)-3-(furan-2-yl)-3-phenylpropanoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(3R)-3-(furan-2-yl)-3-phenylpropanoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(3R)-3-(furan-2-yl)-3-phenylpropanoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is Cn1nc(C(=O)O)c2c1CCN(C(=O)C[C@H](c1ccccc1)c1ccco1)C2.
What is the InChIKey of 5-[(3R)-3-(furan-2-yl)-3-phenylpropanoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is UEEFQECIYWJYIT-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-23-17-9-10-24(13-16(17)20(22-23)21(26)27)19(25)12-15(18-8-5-11-28-18)14-6-3-2-4-7-14/h2-8,11,15H,9-10,12-13H2,1H3,(H,26,27)/t15-/m1/s1.
What are the key properties of 5-[(3R)-3-(furan-2-yl)-3-phenylpropanoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-[(3R)-3-(furan-2-yl)-3-phenylpropanoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 379.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-(furan-2-yl)-3-phenylpropanoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 95200224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).