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

C35H25N5O2 — CID 22032211

IUPAC6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cn23)nc1
InChIInChI=1S/C35H25N5O2/c41-34(42)25-16-18-31(36-20-25)32-22-37-33-19-17-26(23-39(32)33)27-21-38-40(24-27)35(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-24H,(H,41,42)
InChIKeyBNSMXCCARVKKOO-UHFFFAOYSA-N
MW547.62 g/mol
LogP6.80
Rot. Bonds7

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

6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid (PubChem CID 22032211) has the molecular formula C35H25N5O2 and a molecular weight of 547.62 g/mol. Its IUPAC name is 6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid
PubChem CID22032211
Molecular FormulaC35H25N5O2
Molecular Weight547.62 g/mol
Exact Mass547.20
IUPAC Name6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cn23)nc1
InChIInChI=1S/C35H25N5O2/c41-34(42)25-16-18-31(36-20-25)32-22-37-33-19-17-26(23-39(32)33)27-21-38-40(24-27)35(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-24H,(H,41,42)
InChIKeyBNSMXCCARVKKOO-UHFFFAOYSA-N
XLogP6.80
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.62
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-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-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid (CID 22032211) is 6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cn23)nc1.
What is the InChIKey of 6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid?
The InChIKey is BNSMXCCARVKKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N5O2/c41-34(42)25-16-18-31(36-20-25)32-22-37-33-19-17-26(23-39(32)33)27-21-38-40(24-27)35(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-24H,(H,41,42).
What are the key properties of 6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid?
6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid has a molecular weight of 547.62 g/mol, XLogP of 6.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 22032211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).