tert-butyl 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyrazolo[4,3-c]pyridazin-1-yl]piperidine-1-carboxylate

C21H25FN6O3 — CID 168896586

IUPACtert-butyl 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyrazolo[4,3-c]pyridazin-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2nc(N)c3nnc(-c4cccc(F)c4O)cc32)CC1
InChIInChI=1S/C21H25FN6O3/c1-21(2,3)31-20(30)27-9-7-12(8-10-27)28-16-11-15(24-25-17(16)19(23)26-28)13-5-4-6-14(22)18(13)29/h4-6,11-12,29H,7-10H2,1-3H3,(H2,23,26)
InChIKeyLHHXUHYRUDBSIV-UHFFFAOYSA-N
MW428.47 g/mol
LogP3.49
Rot. Bonds2

About tert-butyl 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyrazolo[4,3-c]pyridazin-1-yl]piperidine-1-carboxylate

tert-butyl 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyrazolo[4,3-c]pyridazin-1-yl]piperidine-1-carboxylate (PubChem CID 168896586) has the molecular formula C21H25FN6O3 and a molecular weight of 428.47 g/mol. Its IUPAC name is tert-butyl 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyrazolo[4,3-c]pyridazin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyrazolo[4,3-c]pyridazin-1-yl]piperidine-1-carboxylate
PubChem CID168896586
Molecular FormulaC21H25FN6O3
Molecular Weight428.47 g/mol
Exact Mass428.20
IUPAC Nametert-butyl 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyrazolo[4,3-c]pyridazin-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2nc(N)c3nnc(-c4cccc(F)c4O)cc32)CC1
InChIInChI=1S/C21H25FN6O3/c1-21(2,3)31-20(30)27-9-7-12(8-10-27)28-16-11-15(24-25-17(16)19(23)26-28)13-5-4-6-14(22)18(13)29/h4-6,11-12,29H,7-10H2,1-3H3,(H2,23,26)
InChIKeyLHHXUHYRUDBSIV-UHFFFAOYSA-N
XLogP3.49
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyrazolo[4,3-c]pyridazin-1-yl]piperidine-1-carboxylate 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

tert-butyl 4-[6-(3-fluoro-2-hydroxyphenyl)-3-(propylamino)pyrazolo[4,3-c]pyridazin-1-yl]piperidine-1-carboxylate
CID 168896649
2-[3-amino-1-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyrazolo[4,3-c]pyridazin-6-yl]-6-fluorophenol
CID 168896395
tert-butyl 4-[3-[2-[3-[3-amino-6-(2-hydroxyphenyl)pyrazolo[4,3-c]pyridazin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]pyrimidin-5-yl]oxycyclobutyl]oxypiperidine-1-carboxylate
CID 168896482
tert-butyl 4-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]-5-fluoropyrazol-1-yl]piperidine-1-carboxylate
CID 170624642
tert-butyl 2-[4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]acetate
CID 161322481
tert-butyl 4-[2-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyrazolo[4,3-c]pyridazin-1-yl]piperidin-1-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 168896331
tert-butyl 4-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]-3-fluoropyrazol-1-yl]piperidine-1-carboxylate
CID 170625844
tert-butyl 4-[2-[(10S)-4-(3-fluoro-2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-12-yl]pyrimidin-5-yl]piperidine-1-carboxylate
CID 166459691
tert-butyl 4-[5-[4-[6-[2-(methoxymethoxy)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[4,3-c]pyridazin-1-yl]piperidin-1-yl]pyrazin-2-yl]piperazine-1-carboxylate
CID 168896355
2-[3-amino-1-(1-methylpiperidin-3-yl)pyrazolo[4,3-c]pyridazin-6-yl]phenol
CID 170180644
tert-butyl 4-(2-amino-6-fluorophenoxy)piperidine-1-carboxylate
CID 53255951
tert-butyl 4-[3-[2-[4-[6-(2-hydroxyphenyl)-3-(propan-2-ylamino)pyrazolo[4,3-c]pyridazin-1-yl]piperidin-1-yl]pyrimidin-5-yl]oxycyclobutyl]oxypiperidine-1-carboxylate
CID 168896554

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyrazolo[4,3-c]pyridazin-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyrazolo[4,3-c]pyridazin-1-yl]piperidine-1-carboxylate (CID 168896586) is tert-butyl 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyrazolo[4,3-c]pyridazin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyrazolo[4,3-c]pyridazin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyrazolo[4,3-c]pyridazin-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2nc(N)c3nnc(-c4cccc(F)c4O)cc32)CC1.
What is the InChIKey of tert-butyl 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyrazolo[4,3-c]pyridazin-1-yl]piperidine-1-carboxylate?
The InChIKey is LHHXUHYRUDBSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O3/c1-21(2,3)31-20(30)27-9-7-12(8-10-27)28-16-11-15(24-25-17(16)19(23)26-28)13-5-4-6-14(22)18(13)29/h4-6,11-12,29H,7-10H2,1-3H3,(H2,23,26).
What are the key properties of tert-butyl 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyrazolo[4,3-c]pyridazin-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyrazolo[4,3-c]pyridazin-1-yl]piperidine-1-carboxylate has a molecular weight of 428.47 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyrazolo[4,3-c]pyridazin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 168896586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).