[2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)phenyl] formate

C20H16FN7O2S — CID 152604576

IUPAC[2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)phenyl] formate
SMILESO=COc1cc(-c2cn[nH]c2F)ccc1-c1cc2sc(N3CC4(CNC4)C3)nc2nn1
InChIInChI=1S/C20H16FN7O2S/c21-17-13(5-23-26-17)11-1-2-12(15(3-11)30-10-29)14-4-16-18(27-25-14)24-19(31-16)28-8-20(9-28)6-22-7-20/h1-5,10,22H,6-9H2,(H,23,26)
InChIKeyYYFWDKTVZJJFAA-UHFFFAOYSA-N
MW437.46 g/mol
LogP2.23
Rot. Bonds5

About [2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)phenyl] formate

[2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)phenyl] formate (PubChem CID 152604576) has the molecular formula C20H16FN7O2S and a molecular weight of 437.46 g/mol. Its IUPAC name is [2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)phenyl] formate.

Molecular Properties

Compound Name[2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)phenyl] formate
PubChem CID152604576
Molecular FormulaC20H16FN7O2S
Molecular Weight437.46 g/mol
Exact Mass437.11
IUPAC Name[2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)phenyl] formate
SMILESO=COc1cc(-c2cn[nH]c2F)ccc1-c1cc2sc(N3CC4(CNC4)C3)nc2nn1
InChIInChI=1S/C20H16FN7O2S/c21-17-13(5-23-26-17)11-1-2-12(15(3-11)30-10-29)14-4-16-18(27-25-14)24-19(31-16)28-8-20(9-28)6-22-7-20/h1-5,10,22H,6-9H2,(H,23,26)
InChIKeyYYFWDKTVZJJFAA-UHFFFAOYSA-N
XLogP2.23
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)phenyl] formate 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

2-[6-(2,8-diazaspiro[3.5]nonan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 150654007
2-[6-(1,7-diazaspiro[3.5]nonan-1-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;dihydrochloride
CID 153383348
2-[6-[2-azaspiro[3.3]heptan-6-yl(methyl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;dihydrochloride
CID 153383284
2-[6-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 159351483
5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol
CID 156699106
2-[6-[[(1R,2S)-2-fluorocyclopentyl]-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 161096427
5-(1H-pyrazol-4-yl)-2-(5-spiro[8-azabicyclo[3.2.1]octane-3,3'-azetidine]-1'-yl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl)phenol;hydrochloride
CID 162492671
5-fluoro-4-(4-methylphenyl)-1H-pyrazole
CID 137387558
2-[[7-(2,6-diazaspiro[3.3]heptan-2-yl)-5-fluoro-3-oxo-1,2-dihydrocyclopenta[b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 176630665
[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl] formate
CID 175295501
2-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazole
CID 90282542
2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)pyridin-3-ol
CID 155287538

Frequently Asked Questions

What is the IUPAC name of [2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)phenyl] formate?
The IUPAC name of [2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)phenyl] formate (CID 152604576) is [2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)phenyl] formate.
What is the SMILES notation for [2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)phenyl] formate?
The canonical SMILES for [2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)phenyl] formate is O=COc1cc(-c2cn[nH]c2F)ccc1-c1cc2sc(N3CC4(CNC4)C3)nc2nn1.
What is the InChIKey of [2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)phenyl] formate?
The InChIKey is YYFWDKTVZJJFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN7O2S/c21-17-13(5-23-26-17)11-1-2-12(15(3-11)30-10-29)14-4-16-18(27-25-14)24-19(31-16)28-8-20(9-28)6-22-7-20/h1-5,10,22H,6-9H2,(H,23,26).
What are the key properties of [2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)phenyl] formate?
[2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)phenyl] formate has a molecular weight of 437.46 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)phenyl] formate is sourced from PubChem (CID 152604576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).