7-(2-iodophosphanylpyrazol-3-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine

C13H10IN6P — CID 170386390

IUPAC7-(2-iodophosphanylpyrazol-3-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine
SMILESNc1nc2cc(-c3ccnn3PI)ccc2c2[nH]ncc12
InChIInChI=1S/C13H10IN6P/c14-21-20-11(3-4-17-20)7-1-2-8-10(5-7)18-13(15)9-6-16-19-12(8)9/h1-6,21H,(H2,15,18)(H,16,19)
InChIKeyFGAWDEDSKINDEI-UHFFFAOYSA-N
MW408.14 g/mol
LogP3.35
Rot. Bonds2

About 7-(2-iodophosphanylpyrazol-3-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine

7-(2-iodophosphanylpyrazol-3-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine (PubChem CID 170386390) has the molecular formula C13H10IN6P and a molecular weight of 408.14 g/mol. Its IUPAC name is 7-(2-iodophosphanylpyrazol-3-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name7-(2-iodophosphanylpyrazol-3-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine
PubChem CID170386390
Molecular FormulaC13H10IN6P
Molecular Weight408.14 g/mol
Exact Mass407.97
IUPAC Name7-(2-iodophosphanylpyrazol-3-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine
SMILESNc1nc2cc(-c3ccnn3PI)ccc2c2[nH]ncc12
InChIInChI=1S/C13H10IN6P/c14-21-20-11(3-4-17-20)7-1-2-8-10(5-7)18-13(15)9-6-16-19-12(8)9/h1-6,21H,(H2,15,18)(H,16,19)
InChIKeyFGAWDEDSKINDEI-UHFFFAOYSA-N
XLogP3.35
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.14
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 7-(2-iodophosphanylpyrazol-3-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine 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 7-(2-iodophosphanylpyrazol-3-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine?
The IUPAC name of 7-(2-iodophosphanylpyrazol-3-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine (CID 170386390) is 7-(2-iodophosphanylpyrazol-3-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 7-(2-iodophosphanylpyrazol-3-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine?
The canonical SMILES for 7-(2-iodophosphanylpyrazol-3-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine is Nc1nc2cc(-c3ccnn3PI)ccc2c2[nH]ncc12.
What is the InChIKey of 7-(2-iodophosphanylpyrazol-3-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine?
The InChIKey is FGAWDEDSKINDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10IN6P/c14-21-20-11(3-4-17-20)7-1-2-8-10(5-7)18-13(15)9-6-16-19-12(8)9/h1-6,21H,(H2,15,18)(H,16,19).
What are the key properties of 7-(2-iodophosphanylpyrazol-3-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine?
7-(2-iodophosphanylpyrazol-3-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine has a molecular weight of 408.14 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-iodophosphanylpyrazol-3-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 170386390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).