trans-(1R,3R)-3-ethoxy-2,2-dimethyl-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)cyclobutane-1-carboxylic acid

C17H21N3O4 — CID 129468241

IUPACtrans-(1R,3R)-3-ethoxy-2,2-dimethyl-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)cyclobutane-1-carboxylic acid
SMILESCCO[C@@H]1C[C@](NC(=O)c2cnn3ccccc23)(C(=O)O)C1(C)C
InChIInChI=1S/C17H21N3O4/c1-4-24-13-9-17(15(22)23,16(13,2)3)19-14(21)11-10-18-20-8-6-5-7-12(11)20/h5-8,10,13H,4,9H2,1-3H3,(H,19,21)(H,22,23)/t13-,17+/m1/s1
InChIKeyYNNXZNUQVXEOSU-DYVFJYSZSA-N
MW331.37 g/mol
LogP1.72
Rot. Bonds5

About trans-(1R,3R)-3-ethoxy-2,2-dimethyl-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)cyclobutane-1-carboxylic acid

trans-(1R,3R)-3-ethoxy-2,2-dimethyl-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)cyclobutane-1-carboxylic acid (PubChem CID 129468241) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is trans-(1R,3R)-3-ethoxy-2,2-dimethyl-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,3R)-3-ethoxy-2,2-dimethyl-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)cyclobutane-1-carboxylic acid
PubChem CID129468241
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Nametrans-(1R,3R)-3-ethoxy-2,2-dimethyl-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)cyclobutane-1-carboxylic acid
SMILESCCO[C@@H]1C[C@](NC(=O)c2cnn3ccccc23)(C(=O)O)C1(C)C
InChIInChI=1S/C17H21N3O4/c1-4-24-13-9-17(15(22)23,16(13,2)3)19-14(21)11-10-18-20-8-6-5-7-12(11)20/h5-8,10,13H,4,9H2,1-3H3,(H,19,21)(H,22,23)/t13-,17+/m1/s1
InChIKeyYNNXZNUQVXEOSU-DYVFJYSZSA-N
XLogP1.72
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1R,3R)-3-ethoxy-2,2-dimethyl-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)cyclobutane-1-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 trans-(1R,3R)-3-ethoxy-2,2-dimethyl-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of trans-(1R,3R)-3-ethoxy-2,2-dimethyl-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)cyclobutane-1-carboxylic acid (CID 129468241) is trans-(1R,3R)-3-ethoxy-2,2-dimethyl-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,3R)-3-ethoxy-2,2-dimethyl-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for trans-(1R,3R)-3-ethoxy-2,2-dimethyl-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)cyclobutane-1-carboxylic acid is CCO[C@@H]1C[C@](NC(=O)c2cnn3ccccc23)(C(=O)O)C1(C)C.
What is the InChIKey of trans-(1R,3R)-3-ethoxy-2,2-dimethyl-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)cyclobutane-1-carboxylic acid?
The InChIKey is YNNXZNUQVXEOSU-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-4-24-13-9-17(15(22)23,16(13,2)3)19-14(21)11-10-18-20-8-6-5-7-12(11)20/h5-8,10,13H,4,9H2,1-3H3,(H,19,21)(H,22,23)/t13-,17+/m1/s1.
What are the key properties of trans-(1R,3R)-3-ethoxy-2,2-dimethyl-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)cyclobutane-1-carboxylic acid?
trans-(1R,3R)-3-ethoxy-2,2-dimethyl-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)cyclobutane-1-carboxylic acid has a molecular weight of 331.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-ethoxy-2,2-dimethyl-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 129468241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).