3-[[1-[(3S)-1-methylpyrrolidin-3-yl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid

C20H21N5O2 — CID 145048511

IUPAC3-[[1-[(3S)-1-methylpyrrolidin-3-yl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid
SMILESCN1CC[C@H](n2cc(-c3ccccc3)c(Nc3cnccc3C(=O)O)n2)C1
InChIInChI=1S/C20H21N5O2/c1-24-10-8-15(12-24)25-13-17(14-5-3-2-4-6-14)19(23-25)22-18-11-21-9-7-16(18)20(26)27/h2-7,9,11,13,15H,8,10,12H2,1H3,(H,22,23)(H,26,27)/t15-/m0/s1
InChIKeyQHVWTWPXRDJLGM-HNNXBMFYSA-N
MW363.42 g/mol
LogP3.26
Rot. Bonds5

About 3-[[1-[(3S)-1-methylpyrrolidin-3-yl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid

3-[[1-[(3S)-1-methylpyrrolidin-3-yl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid (PubChem CID 145048511) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[[1-[(3S)-1-methylpyrrolidin-3-yl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[1-[(3S)-1-methylpyrrolidin-3-yl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid
PubChem CID145048511
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name3-[[1-[(3S)-1-methylpyrrolidin-3-yl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid
SMILESCN1CC[C@H](n2cc(-c3ccccc3)c(Nc3cnccc3C(=O)O)n2)C1
InChIInChI=1S/C20H21N5O2/c1-24-10-8-15(12-24)25-13-17(14-5-3-2-4-6-14)19(23-25)22-18-11-21-9-7-16(18)20(26)27/h2-7,9,11,13,15H,8,10,12H2,1H3,(H,22,23)(H,26,27)/t15-/m0/s1
InChIKeyQHVWTWPXRDJLGM-HNNXBMFYSA-N
XLogP3.26
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[1-[(3S)-1-methylpyrrolidin-3-yl]-4-phenylpyrazol-3-yl]amino]pyridine-4-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 3-[[1-[(3S)-1-methylpyrrolidin-3-yl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[1-[(3S)-1-methylpyrrolidin-3-yl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid (CID 145048511) is 3-[[1-[(3S)-1-methylpyrrolidin-3-yl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[1-[(3S)-1-methylpyrrolidin-3-yl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[1-[(3S)-1-methylpyrrolidin-3-yl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid is CN1CC[C@H](n2cc(-c3ccccc3)c(Nc3cnccc3C(=O)O)n2)C1.
What is the InChIKey of 3-[[1-[(3S)-1-methylpyrrolidin-3-yl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid?
The InChIKey is QHVWTWPXRDJLGM-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-24-10-8-15(12-24)25-13-17(14-5-3-2-4-6-14)19(23-25)22-18-11-21-9-7-16(18)20(26)27/h2-7,9,11,13,15H,8,10,12H2,1H3,(H,22,23)(H,26,27)/t15-/m0/s1.
What are the key properties of 3-[[1-[(3S)-1-methylpyrrolidin-3-yl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid?
3-[[1-[(3S)-1-methylpyrrolidin-3-yl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid has a molecular weight of 363.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(3S)-1-methylpyrrolidin-3-yl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 145048511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).