5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-sulfanylpiperazin-1-yl)-4-pyridinyl]-1H-indazole

C22H21FN6OS — CID 144697519

IUPAC5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-sulfanylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
SMILESCOc1ccnc(F)c1-c1ccc2[nH]nc(-c3ccnc(N4CCN(S)CC4)c3)c2c1
InChIInChI=1S/C22H21FN6OS/c1-30-18-5-7-25-22(23)20(18)14-2-3-17-16(12-14)21(27-26-17)15-4-6-24-19(13-15)28-8-10-29(31)11-9-28/h2-7,12-13,31H,8-11H2,1H3,(H,26,27)
InChIKeyMVUIEISCGAUKIR-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.80
Rot. Bonds4

About 5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-sulfanylpiperazin-1-yl)-4-pyridinyl]-1H-indazole

5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-sulfanylpiperazin-1-yl)-4-pyridinyl]-1H-indazole (PubChem CID 144697519) has the molecular formula C22H21FN6OS and a molecular weight of 436.52 g/mol. Its IUPAC name is 5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-sulfanylpiperazin-1-yl)-4-pyridinyl]-1H-indazole.

Molecular Properties

Compound Name5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-sulfanylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
PubChem CID144697519
Molecular FormulaC22H21FN6OS
Molecular Weight436.52 g/mol
Exact Mass436.15
IUPAC Name5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-sulfanylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
SMILESCOc1ccnc(F)c1-c1ccc2[nH]nc(-c3ccnc(N4CCN(S)CC4)c3)c2c1
InChIInChI=1S/C22H21FN6OS/c1-30-18-5-7-25-22(23)20(18)14-2-3-17-16(12-14)21(27-26-17)15-4-6-24-19(13-15)28-8-10-29(31)11-9-28/h2-7,12-13,31H,8-11H2,1H3,(H,26,27)
InChIKeyMVUIEISCGAUKIR-UHFFFAOYSA-N
XLogP3.80
TPSA70.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-sulfanylpiperazin-1-yl)-4-pyridinyl]-1H-indazole 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 5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-sulfanylpiperazin-1-yl)-4-pyridinyl]-1H-indazole?
The IUPAC name of 5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-sulfanylpiperazin-1-yl)-4-pyridinyl]-1H-indazole (CID 144697519) is 5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-sulfanylpiperazin-1-yl)-4-pyridinyl]-1H-indazole.
What is the SMILES notation for 5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-sulfanylpiperazin-1-yl)-4-pyridinyl]-1H-indazole?
The canonical SMILES for 5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-sulfanylpiperazin-1-yl)-4-pyridinyl]-1H-indazole is COc1ccnc(F)c1-c1ccc2[nH]nc(-c3ccnc(N4CCN(S)CC4)c3)c2c1.
What is the InChIKey of 5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-sulfanylpiperazin-1-yl)-4-pyridinyl]-1H-indazole?
The InChIKey is MVUIEISCGAUKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6OS/c1-30-18-5-7-25-22(23)20(18)14-2-3-17-16(12-14)21(27-26-17)15-4-6-24-19(13-15)28-8-10-29(31)11-9-28/h2-7,12-13,31H,8-11H2,1H3,(H,26,27).
What are the key properties of 5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-sulfanylpiperazin-1-yl)-4-pyridinyl]-1H-indazole?
5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-sulfanylpiperazin-1-yl)-4-pyridinyl]-1H-indazole has a molecular weight of 436.52 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-sulfanylpiperazin-1-yl)-4-pyridinyl]-1H-indazole is sourced from PubChem (CID 144697519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).