methyl 4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1-tritylpyrazole-3-carboxylate

C36H27N5O2 — CID 22031150

IUPACmethyl 4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1-tritylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1ccc2ncc(-c3ccccn3)n2c1
InChIInChI=1S/C36H27N5O2/c1-43-35(42)34-30(26-20-21-33-38-23-32(40(33)24-26)31-19-11-12-22-37-31)25-41(39-34)36(27-13-5-2-6-14-27,28-15-7-3-8-16-28)29-17-9-4-10-18-29/h2-25H,1H3
InChIKeyNJWXOSFXQMBFHP-UHFFFAOYSA-N
MW561.65 g/mol
LogP6.89
Rot. Bonds7

About methyl 4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1-tritylpyrazole-3-carboxylate

methyl 4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1-tritylpyrazole-3-carboxylate (PubChem CID 22031150) has the molecular formula C36H27N5O2 and a molecular weight of 561.65 g/mol. Its IUPAC name is methyl 4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1-tritylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1-tritylpyrazole-3-carboxylate
PubChem CID22031150
Molecular FormulaC36H27N5O2
Molecular Weight561.65 g/mol
Exact Mass561.22
IUPAC Namemethyl 4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1-tritylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1ccc2ncc(-c3ccccn3)n2c1
InChIInChI=1S/C36H27N5O2/c1-43-35(42)34-30(26-20-21-33-38-23-32(40(33)24-26)31-19-11-12-22-37-31)25-41(39-34)36(27-13-5-2-6-14-27,28-15-7-3-8-16-28)29-17-9-4-10-18-29/h2-25H,1H3
InChIKeyNJWXOSFXQMBFHP-UHFFFAOYSA-N
XLogP6.89
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.65
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1-tritylpyrazole-3-carboxylate 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 methyl 4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1-tritylpyrazole-3-carboxylate?
The IUPAC name of methyl 4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1-tritylpyrazole-3-carboxylate (CID 22031150) is methyl 4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1-tritylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1-tritylpyrazole-3-carboxylate?
The canonical SMILES for methyl 4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1-tritylpyrazole-3-carboxylate is COC(=O)c1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1ccc2ncc(-c3ccccn3)n2c1.
What is the InChIKey of methyl 4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1-tritylpyrazole-3-carboxylate?
The InChIKey is NJWXOSFXQMBFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N5O2/c1-43-35(42)34-30(26-20-21-33-38-23-32(40(33)24-26)31-19-11-12-22-37-31)25-41(39-34)36(27-13-5-2-6-14-27,28-15-7-3-8-16-28)29-17-9-4-10-18-29/h2-25H,1H3.
What are the key properties of methyl 4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1-tritylpyrazole-3-carboxylate?
methyl 4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1-tritylpyrazole-3-carboxylate has a molecular weight of 561.65 g/mol, XLogP of 6.89, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1-tritylpyrazole-3-carboxylate is sourced from PubChem (CID 22031150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).