2-amino-4-(furan-2-yl)-6-(1-tritylpyrazol-4-yl)pyridine-3-carbonitrile

C32H23N5O — CID 11755444

IUPAC2-amino-4-(furan-2-yl)-6-(1-tritylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccco2)cc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)nc1N
InChIInChI=1S/C32H23N5O/c33-20-28-27(30-17-10-18-38-30)19-29(36-31(28)34)23-21-35-37(22-23)32(24-11-4-1-5-12-24,25-13-6-2-7-14-25)26-15-8-3-9-16-26/h1-19,21-22H,(H2,34,36)
InChIKeyBZAYMABIOIUVNZ-UHFFFAOYSA-N
MW493.57 g/mol
LogP6.50
Rot. Bonds6

About 2-amino-4-(furan-2-yl)-6-(1-tritylpyrazol-4-yl)pyridine-3-carbonitrile

2-amino-4-(furan-2-yl)-6-(1-tritylpyrazol-4-yl)pyridine-3-carbonitrile (PubChem CID 11755444) has the molecular formula C32H23N5O and a molecular weight of 493.57 g/mol. Its IUPAC name is 2-amino-4-(furan-2-yl)-6-(1-tritylpyrazol-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(furan-2-yl)-6-(1-tritylpyrazol-4-yl)pyridine-3-carbonitrile
PubChem CID11755444
Molecular FormulaC32H23N5O
Molecular Weight493.57 g/mol
Exact Mass493.19
IUPAC Name2-amino-4-(furan-2-yl)-6-(1-tritylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccco2)cc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)nc1N
InChIInChI=1S/C32H23N5O/c33-20-28-27(30-17-10-18-38-30)19-29(36-31(28)34)23-21-35-37(22-23)32(24-11-4-1-5-12-24,25-13-6-2-7-14-25)26-15-8-3-9-16-26/h1-19,21-22H,(H2,34,36)
InChIKeyBZAYMABIOIUVNZ-UHFFFAOYSA-N
XLogP6.50
TPSA93.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.57
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-4-(furan-2-yl)-6-(1-tritylpyrazol-4-yl)pyridine-3-carbonitrile 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 2-amino-4-(furan-2-yl)-6-(1-tritylpyrazol-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(furan-2-yl)-6-(1-tritylpyrazol-4-yl)pyridine-3-carbonitrile (CID 11755444) is 2-amino-4-(furan-2-yl)-6-(1-tritylpyrazol-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(furan-2-yl)-6-(1-tritylpyrazol-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(furan-2-yl)-6-(1-tritylpyrazol-4-yl)pyridine-3-carbonitrile is N#Cc1c(-c2ccco2)cc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)nc1N.
What is the InChIKey of 2-amino-4-(furan-2-yl)-6-(1-tritylpyrazol-4-yl)pyridine-3-carbonitrile?
The InChIKey is BZAYMABIOIUVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N5O/c33-20-28-27(30-17-10-18-38-30)19-29(36-31(28)34)23-21-35-37(22-23)32(24-11-4-1-5-12-24,25-13-6-2-7-14-25)26-15-8-3-9-16-26/h1-19,21-22H,(H2,34,36).
What are the key properties of 2-amino-4-(furan-2-yl)-6-(1-tritylpyrazol-4-yl)pyridine-3-carbonitrile?
2-amino-4-(furan-2-yl)-6-(1-tritylpyrazol-4-yl)pyridine-3-carbonitrile has a molecular weight of 493.57 g/mol, XLogP of 6.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(furan-2-yl)-6-(1-tritylpyrazol-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 11755444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).