1-[[5-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]thiophen-2-yl]methyl]pyrrolidine-2-carbonitrile

C46H35N7S — CID 139997603

IUPAC1-[[5-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]thiophen-2-yl]methyl]pyrrolidine-2-carbonitrile
SMILESN#Cc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4ccc(CN5CCCC5C#N)s4)n3c2)cc1
InChIInChI=1S/C46H35N7S/c47-27-33-18-20-34(21-19-33)45-41(32-53(50-45)46(36-11-4-1-5-12-36,37-13-6-2-7-14-37)38-15-8-3-9-16-38)35-22-25-44-49-29-42(52(44)30-35)43-24-23-40(54-43)31-51-26-10-17-39(51)28-48/h1-9,11-16,18-25,29-30,32,39H,10,17,26,31H2
InChIKeyGLQJAENYRJBPEY-UHFFFAOYSA-N
MW717.90 g/mol
LogP9.79
Rot. Bonds9

About 1-[[5-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]thiophen-2-yl]methyl]pyrrolidine-2-carbonitrile

1-[[5-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]thiophen-2-yl]methyl]pyrrolidine-2-carbonitrile (PubChem CID 139997603) has the molecular formula C46H35N7S and a molecular weight of 717.90 g/mol. Its IUPAC name is 1-[[5-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]thiophen-2-yl]methyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-[[5-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]thiophen-2-yl]methyl]pyrrolidine-2-carbonitrile
PubChem CID139997603
Molecular FormulaC46H35N7S
Molecular Weight717.90 g/mol
Exact Mass717.27
IUPAC Name1-[[5-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]thiophen-2-yl]methyl]pyrrolidine-2-carbonitrile
SMILESN#Cc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4ccc(CN5CCCC5C#N)s4)n3c2)cc1
InChIInChI=1S/C46H35N7S/c47-27-33-18-20-34(21-19-33)45-41(32-53(50-45)46(36-11-4-1-5-12-36,37-13-6-2-7-14-37)38-15-8-3-9-16-38)35-22-25-44-49-29-42(52(44)30-35)43-24-23-40(54-43)31-51-26-10-17-39(51)28-48/h1-9,11-16,18-25,29-30,32,39H,10,17,26,31H2
InChIKeyGLQJAENYRJBPEY-UHFFFAOYSA-N
XLogP9.79
TPSA85.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.90
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[[5-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]thiophen-2-yl]methyl]pyrrolidine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(1-Methylpyrazol-4-yl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
CID 164614398
7-(1-Methylpyrazol-4-yl)-3-(5-pyridin-4-ylthiophen-2-yl)imidazo[1,2-a]pyridine
CID 164616134
3-[5-(4-Fluorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 164616414
7-(1-Methylpyrazol-4-yl)-3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine
CID 164616547
7-(1-Methylpyrazol-4-yl)-3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]imidazo[1,2-a]pyridine
CID 164620635
4-[4-[4-(5-Methylthiophen-2-yl)-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]pyrazol-1-yl]butanenitrile
CID 164621087
3-[4-[4-(5-Methylthiophen-2-yl)-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]pyrazol-1-yl]propanenitrile
CID 164622669
7-(1-Methylpyrazol-4-yl)-3-(5-pyridin-3-ylthiophen-2-yl)imidazo[1,2-a]pyridine
CID 164625241
3-[5-(3-Fluorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 164627013
3-[5-(1-Methylpyrazol-4-yl)thiophen-2-yl]imidazo[1,2-a]pyridine
CID 164609449
3-[5-(4-Fluorophenyl)thiophen-2-yl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 164622607
3-[5-(1-Methylpyrazol-4-yl)thiophen-2-yl]-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
CID 164626691

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]thiophen-2-yl]methyl]pyrrolidine-2-carbonitrile?
The IUPAC name of 1-[[5-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]thiophen-2-yl]methyl]pyrrolidine-2-carbonitrile (CID 139997603) is 1-[[5-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]thiophen-2-yl]methyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-[[5-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]thiophen-2-yl]methyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for 1-[[5-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]thiophen-2-yl]methyl]pyrrolidine-2-carbonitrile is N#Cc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4ccc(CN5CCCC5C#N)s4)n3c2)cc1.
What is the InChIKey of 1-[[5-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]thiophen-2-yl]methyl]pyrrolidine-2-carbonitrile?
The InChIKey is GLQJAENYRJBPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N7S/c47-27-33-18-20-34(21-19-33)45-41(32-53(50-45)46(36-11-4-1-5-12-36,37-13-6-2-7-14-37)38-15-8-3-9-16-38)35-22-25-44-49-29-42(52(44)30-35)43-24-23-40(54-43)31-51-26-10-17-39(51)28-48/h1-9,11-16,18-25,29-30,32,39H,10,17,26,31H2.
What are the key properties of 1-[[5-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]thiophen-2-yl]methyl]pyrrolidine-2-carbonitrile?
1-[[5-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]thiophen-2-yl]methyl]pyrrolidine-2-carbonitrile has a molecular weight of 717.90 g/mol, XLogP of 9.79, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]thiophen-2-yl]methyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 139997603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).