tert-butyl (3S,4S)-3-(6-aminopyridazin-3-yl)oxy-4-fluoropiperidine-1-carboxylate;tert-butyl 3-(6-aminopyridazin-3-yl)oxypiperidine-1-carboxylate;6-cyclobutyloxypyridazin-3-amine;6-cyclopentyloxypyridazin-3-amine;6-[(1S,2S)-2-fluorocyclopentyl]oxypyridazin-3-amine

C54H79F2N17O9 — CID 158808033

IUPACtert-butyl (3S,4S)-3-(6-aminopyridazin-3-yl)oxy-4-fluoropiperidine-1-carboxylate;tert-butyl 3-(6-aminopyridazin-3-yl)oxypiperidine-1-carboxylate;6-cyclobutyloxypyridazin-3-amine;6-cyclopentyloxypyridazin-3-amine;6-[(1S,2S)-2-fluorocyclopentyl]oxypyridazin-3-amine
SMILESCC(C)(C)OC(=O)N1CCCC(Oc2ccc(N)nn2)C1.CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](Oc2ccc(N)nn2)C1.Nc1ccc(OC2CCC2)nn1.Nc1ccc(OC2CCCC2)nn1.Nc1ccc(O[C@H]2CCC[C@@H]2F)nn1
InChIInChI=1S/C14H21FN4O3.C14H22N4O3.C9H12FN3O.C9H13N3O.C8H11N3O/c1-14(2,3)22-13(20)19-7-6-9(15)10(8-19)21-12-5-4-11(16)17-18-12;1-14(2,3)21-13(19)18-8-4-5-10(9-18)20-12-7-6-11(15)16-17-12;10-6-2-1-3-7(6)14-9-5-4-8(11)12-13-9;10-8-5-6-9(12-11-8)13-7-3-1-2-4-7;9-7-4-5-8(11-10-7)12-6-2-1-3-6/h4-5,9-10H,6-8H2,1-3H3,(H2,16,17);6-7,10H,4-5,8-9H2,1-3H3,(H2,15,16);4-7H,1-3H2,(H2,11,12);5-7H,1-4H2,(H2,10,11);4-6H,1-3H2,(H2,9,10)/t9-,10-;;6-,7-;;/m0.0../s1
InChIKeyIUIFSMPHVRBWGN-UOSIVOPTSA-N
MW1148.33 g/mol
LogP7.32
Rot. Bonds10

About tert-butyl (3S,4S)-3-(6-aminopyridazin-3-yl)oxy-4-fluoropiperidine-1-carboxylate;tert-butyl 3-(6-aminopyridazin-3-yl)oxypiperidine-1-carboxylate;6-cyclobutyloxypyridazin-3-amine;6-cyclopentyloxypyridazin-3-amine;6-[(1S,2S)-2-fluorocyclopentyl]oxypyridazin-3-amine

tert-butyl (3S,4S)-3-(6-aminopyridazin-3-yl)oxy-4-fluoropiperidine-1-carboxylate;tert-butyl 3-(6-aminopyridazin-3-yl)oxypiperidine-1-carboxylate;6-cyclobutyloxypyridazin-3-amine;6-cyclopentyloxypyridazin-3-amine;6-[(1S,2S)-2-fluorocyclopentyl]oxypyridazin-3-amine (PubChem CID 158808033) has the molecular formula C54H79F2N17O9 and a molecular weight of 1148.33 g/mol. Its IUPAC name is tert-butyl (3S,4S)-3-(6-aminopyridazin-3-yl)oxy-4-fluoropiperidine-1-carboxylate;tert-butyl 3-(6-aminopyridazin-3-yl)oxypiperidine-1-carboxylate;6-cyclobutyloxypyridazin-3-amine;6-cyclopentyloxypyridazin-3-amine;6-[(1S,2S)-2-fluorocyclopentyl]oxypyridazin-3-amine.

Molecular Properties

Compound Nametert-butyl (3S,4S)-3-(6-aminopyridazin-3-yl)oxy-4-fluoropiperidine-1-carboxylate;tert-butyl 3-(6-aminopyridazin-3-yl)oxypiperidine-1-carboxylate;6-cyclobutyloxypyridazin-3-amine;6-cyclopentyloxypyridazin-3-amine;6-[(1S,2S)-2-fluorocyclopentyl]oxypyridazin-3-amine
PubChem CID158808033
Molecular FormulaC54H79F2N17O9
Molecular Weight1148.33 g/mol
Exact Mass1147.62
IUPAC Nametert-butyl (3S,4S)-3-(6-aminopyridazin-3-yl)oxy-4-fluoropiperidine-1-carboxylate;tert-butyl 3-(6-aminopyridazin-3-yl)oxypiperidine-1-carboxylate;6-cyclobutyloxypyridazin-3-amine;6-cyclopentyloxypyridazin-3-amine;6-[(1S,2S)-2-fluorocyclopentyl]oxypyridazin-3-amine
SMILESCC(C)(C)OC(=O)N1CCCC(Oc2ccc(N)nn2)C1.CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](Oc2ccc(N)nn2)C1.Nc1ccc(OC2CCC2)nn1.Nc1ccc(OC2CCCC2)nn1.Nc1ccc(O[C@H]2CCC[C@@H]2F)nn1
InChIInChI=1S/C14H21FN4O3.C14H22N4O3.C9H12FN3O.C9H13N3O.C8H11N3O/c1-14(2,3)22-13(20)19-7-6-9(15)10(8-19)21-12-5-4-11(16)17-18-12;1-14(2,3)21-13(19)18-8-4-5-10(9-18)20-12-7-6-11(15)16-17-12;10-6-2-1-3-7(6)14-9-5-4-8(11)12-13-9;10-8-5-6-9(12-11-8)13-7-3-1-2-4-7;9-7-4-5-8(11-10-7)12-6-2-1-3-6/h4-5,9-10H,6-8H2,1-3H3,(H2,16,17);6-7,10H,4-5,8-9H2,1-3H3,(H2,15,16);4-7H,1-3H2,(H2,11,12);5-7H,1-4H2,(H2,10,11);4-6H,1-3H2,(H2,9,10)/t9-,10-;;6-,7-;;/m0.0../s1
InChIKeyIUIFSMPHVRBWGN-UOSIVOPTSA-N
XLogP7.32
TPSA364.23 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001148.33
LogP ≤ 57.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze tert-butyl (3S,4S)-3-(6-aminopyridazin-3-yl)oxy-4-fluoropiperidine-1-carboxylate;tert-butyl 3-(6-aminopyridazin-3-yl)oxypiperidine-1-carboxylate;6-cyclobutyloxypyridazin-3-amine;6-cyclopentyloxypyridazin-3-amine;6-[(1S,2S)-2-fluorocyclopentyl]oxypyridazin-3-amine with MolForge

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Related Compounds

tert-butyl (3S,4S)-3-(6-aminopyridazin-3-yl)oxy-4-fluoropiperidine-1-carboxylate
CID 140876664
tert-butyl 3-(6-chloropyridazin-3-yl)oxypyrrolidine-1-carboxylate
CID 71629716
tert-butyl 3-(6-aminopyridazin-3-yl)piperidine-1-carboxylate
CID 172992144
tert-butyl (3S)-3-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71634726
tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate
CID 163947882
tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate
CID 71630688
tert-butyl (3S)-3-[(6-amino-4-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 170725757
tert-butyl 4-(4-aminophenoxy)-3-fluoropiperidine-1-carboxylate
CID 142395386
tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate
CID 129411647
tert-butyl (3R,4S)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 124556161
tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate
CID 24902489
tert-butyl 3-(3-amino-5-fluorophenoxy)piperidine-1-carboxylate
CID 57433448

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4S)-3-(6-aminopyridazin-3-yl)oxy-4-fluoropiperidine-1-carboxylate;tert-butyl 3-(6-aminopyridazin-3-yl)oxypiperidine-1-carboxylate;6-cyclobutyloxypyridazin-3-amine;6-cyclopentyloxypyridazin-3-amine;6-[(1S,2S)-2-fluorocyclopentyl]oxypyridazin-3-amine?
The IUPAC name of tert-butyl (3S,4S)-3-(6-aminopyridazin-3-yl)oxy-4-fluoropiperidine-1-carboxylate;tert-butyl 3-(6-aminopyridazin-3-yl)oxypiperidine-1-carboxylate;6-cyclobutyloxypyridazin-3-amine;6-cyclopentyloxypyridazin-3-amine;6-[(1S,2S)-2-fluorocyclopentyl]oxypyridazin-3-amine (CID 158808033) is tert-butyl (3S,4S)-3-(6-aminopyridazin-3-yl)oxy-4-fluoropiperidine-1-carboxylate;tert-butyl 3-(6-aminopyridazin-3-yl)oxypiperidine-1-carboxylate;6-cyclobutyloxypyridazin-3-amine;6-cyclopentyloxypyridazin-3-amine;6-[(1S,2S)-2-fluorocyclopentyl]oxypyridazin-3-amine.
What is the SMILES notation for tert-butyl (3S,4S)-3-(6-aminopyridazin-3-yl)oxy-4-fluoropiperidine-1-carboxylate;tert-butyl 3-(6-aminopyridazin-3-yl)oxypiperidine-1-carboxylate;6-cyclobutyloxypyridazin-3-amine;6-cyclopentyloxypyridazin-3-amine;6-[(1S,2S)-2-fluorocyclopentyl]oxypyridazin-3-amine?
The canonical SMILES for tert-butyl (3S,4S)-3-(6-aminopyridazin-3-yl)oxy-4-fluoropiperidine-1-carboxylate;tert-butyl 3-(6-aminopyridazin-3-yl)oxypiperidine-1-carboxylate;6-cyclobutyloxypyridazin-3-amine;6-cyclopentyloxypyridazin-3-amine;6-[(1S,2S)-2-fluorocyclopentyl]oxypyridazin-3-amine is CC(C)(C)OC(=O)N1CCCC(Oc2ccc(N)nn2)C1.CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](Oc2ccc(N)nn2)C1.Nc1ccc(OC2CCC2)nn1.Nc1ccc(OC2CCCC2)nn1.Nc1ccc(O[C@H]2CCC[C@@H]2F)nn1.
What is the InChIKey of tert-butyl (3S,4S)-3-(6-aminopyridazin-3-yl)oxy-4-fluoropiperidine-1-carboxylate;tert-butyl 3-(6-aminopyridazin-3-yl)oxypiperidine-1-carboxylate;6-cyclobutyloxypyridazin-3-amine;6-cyclopentyloxypyridazin-3-amine;6-[(1S,2S)-2-fluorocyclopentyl]oxypyridazin-3-amine?
The InChIKey is IUIFSMPHVRBWGN-UOSIVOPTSA-N. The full InChI is InChI=1S/C14H21FN4O3.C14H22N4O3.C9H12FN3O.C9H13N3O.C8H11N3O/c1-14(2,3)22-13(20)19-7-6-9(15)10(8-19)21-12-5-4-11(16)17-18-12;1-14(2,3)21-13(19)18-8-4-5-10(9-18)20-12-7-6-11(15)16-17-12;10-6-2-1-3-7(6)14-9-5-4-8(11)12-13-9;10-8-5-6-9(12-11-8)13-7-3-1-2-4-7;9-7-4-5-8(11-10-7)12-6-2-1-3-6/h4-5,9-10H,6-8H2,1-3H3,(H2,16,17);6-7,10H,4-5,8-9H2,1-3H3,(H2,15,16);4-7H,1-3H2,(H2,11,12);5-7H,1-4H2,(H2,10,11);4-6H,1-3H2,(H2,9,10)/t9-,10-;;6-,7-;;/m0.0../s1.
What are the key properties of tert-butyl (3S,4S)-3-(6-aminopyridazin-3-yl)oxy-4-fluoropiperidine-1-carboxylate;tert-butyl 3-(6-aminopyridazin-3-yl)oxypiperidine-1-carboxylate;6-cyclobutyloxypyridazin-3-amine;6-cyclopentyloxypyridazin-3-amine;6-[(1S,2S)-2-fluorocyclopentyl]oxypyridazin-3-amine?
tert-butyl (3S,4S)-3-(6-aminopyridazin-3-yl)oxy-4-fluoropiperidine-1-carboxylate;tert-butyl 3-(6-aminopyridazin-3-yl)oxypiperidine-1-carboxylate;6-cyclobutyloxypyridazin-3-amine;6-cyclopentyloxypyridazin-3-amine;6-[(1S,2S)-2-fluorocyclopentyl]oxypyridazin-3-amine has a molecular weight of 1148.33 g/mol, XLogP of 7.32, 10 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4S)-3-(6-aminopyridazin-3-yl)oxy-4-fluoropiperidine-1-carboxylate;tert-butyl 3-(6-aminopyridazin-3-yl)oxypiperidine-1-carboxylate;6-cyclobutyloxypyridazin-3-amine;6-cyclopentyloxypyridazin-3-amine;6-[(1S,2S)-2-fluorocyclopentyl]oxypyridazin-3-amine is sourced from PubChem (CID 158808033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).