5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-tritylpyrazol-3-yl]thiophene-2-carboxylic acid

C37H25N5O2S2 — CID 22031054

IUPAC5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-tritylpyrazol-3-yl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4nccs4)n3c2)s1
InChIInChI=1S/C37H25N5O2S2/c43-36(44)32-18-17-31(46-32)34-29(25-16-19-33-39-22-30(41(33)23-25)35-38-20-21-45-35)24-42(40-34)37(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-24H,(H,43,44)
InChIKeyCRQCDIBSALSRSJ-UHFFFAOYSA-N
MW635.77 g/mol
LogP8.59
Rot. Bonds8

About 5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-tritylpyrazol-3-yl]thiophene-2-carboxylic acid

5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-tritylpyrazol-3-yl]thiophene-2-carboxylic acid (PubChem CID 22031054) has the molecular formula C37H25N5O2S2 and a molecular weight of 635.77 g/mol. Its IUPAC name is 5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-tritylpyrazol-3-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-tritylpyrazol-3-yl]thiophene-2-carboxylic acid
PubChem CID22031054
Molecular FormulaC37H25N5O2S2
Molecular Weight635.77 g/mol
Exact Mass635.14
IUPAC Name5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-tritylpyrazol-3-yl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4nccs4)n3c2)s1
InChIInChI=1S/C37H25N5O2S2/c43-36(44)32-18-17-31(46-32)34-29(25-16-19-33-39-22-30(41(33)23-25)35-38-20-21-45-35)24-42(40-34)37(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-24H,(H,43,44)
InChIKeyCRQCDIBSALSRSJ-UHFFFAOYSA-N
XLogP8.59
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.77
LogP ≤ 58.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-tritylpyrazol-3-yl]thiophene-2-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-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-tritylpyrazol-3-yl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-tritylpyrazol-3-yl]thiophene-2-carboxylic acid (CID 22031054) is 5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-tritylpyrazol-3-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-tritylpyrazol-3-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-tritylpyrazol-3-yl]thiophene-2-carboxylic acid is O=C(O)c1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4nccs4)n3c2)s1.
What is the InChIKey of 5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-tritylpyrazol-3-yl]thiophene-2-carboxylic acid?
The InChIKey is CRQCDIBSALSRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N5O2S2/c43-36(44)32-18-17-31(46-32)34-29(25-16-19-33-39-22-30(41(33)23-25)35-38-20-21-45-35)24-42(40-34)37(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-24H,(H,43,44).
What are the key properties of 5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-tritylpyrazol-3-yl]thiophene-2-carboxylic acid?
5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-tritylpyrazol-3-yl]thiophene-2-carboxylic acid has a molecular weight of 635.77 g/mol, XLogP of 8.59, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-tritylpyrazol-3-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 22031054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).