bis(tert-butyl N-[(3S,4R)-1-(6-aminopyridazin-3-yl)-3-fluoropiperidin-4-yl]-N-methylcarbamate);6-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-(4-cyclobutylpiperazin-1-yl)pyridazin-3-amine

C72H121F4N23O6Si2 — CID 158430577

About bis(tert-butyl N-[(3S,4R)-1-(6-aminopyridazin-3-yl)-3-fluoropiperidin-4-yl]-N-methylcarbamate);6-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-(4-cyclobutylpiperazin-1-yl)pyridazin-3-amine

bis(tert-butyl N-[(3S,4R)-1-(6-aminopyridazin-3-yl)-3-fluoropiperidin-4-yl]-N-methylcarbamate);6-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-(4-cyclobutylpiperazin-1-yl)pyridazin-3-amine (PubChem CID 158430577) has the molecular formula C72H121F4N23O6Si2 and a molecular weight of 1537.08 g/mol. Its IUPAC name is bis(tert-butyl N-[(3S,4R)-1-(6-aminopyridazin-3-yl)-3-fluoropiperidin-4-yl]-N-methylcarbamate);6-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-(4-cyclobutylpiperazin-1-yl)pyridazin-3-amine.

Molecular Properties

• Compound Name: bis(tert-butyl N-[(3S,4R)-1-(6-aminopyridazin-3-yl)-3-fluoropiperidin-4-yl]-N-methylcarbamate);6-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-(4-cyclobutylpiperazin-1-yl)pyridazin-3-amine
• PubChem CID: 158430577
• Molecular Formula: C72H121F4N23O6Si2
• Molecular Weight: 1537.08 g/mol
• Exact Mass: 1535.93
• IUPAC Name: bis(tert-butyl N-[(3S,4R)-1-(6-aminopyridazin-3-yl)-3-fluoropiperidin-4-yl]-N-methylcarbamate);6-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-(4-cyclobutylpiperazin-1-yl)pyridazin-3-amine
• SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ccc(N)nn2)C[C@H]1F.CC(C)(C)[Si](C)(C)O[C@H]1CCN(c2ccc(N)nn2)C[C@H]1F.CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(N)nn2)C[C@@H]1F.CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(N)nn2)C[C@@H]1F.Nc1ccc(N2CCN(C3CCC3)CC2)nn1
• InChI: InChI=1S/2C15H24FN5O2.2C15H27FN4OSi.C12H19N5/c2*1-15(2,3)23-14(22)20(4)11-7-8-21(9-10(11)16)13-6-5-12(17)18-19-13;2*1-15(2,3)22(4,5)21-12-8-9-20(10-11(12)16)14-7-6-13(17)18-19-14;13-11-4-5-12(15-14-11)17-8-6-16(7-9-17)10-2-1-3-10/h2*5-6,10-11H,7-9H2,1-4H3,(H2,17,18);2*6-7,11-12H,8-10H2,1-5H3,(H2,17,18);4-5,10H,1-3,6-9H2,(H2,13,14)/t2*10-,11+;11-,12+;11-,12-;/m0011./s1
• InChIKey: HBPLLIOKULSIKO-UJDCFYCISA-N
• XLogP: 10.41
• TPSA: 355.98 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 12
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1537.08
LogP ≤ 5	10.41
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl N-[(3S,4R)-1-(6-aminopyridazin-3-yl)-3-fluoropiperidin-4-yl]-N-methylcarbamate);6-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-(4-cyclobutylpiperazin-1-yl)pyridazin-3-amine?

The IUPAC name of bis(tert-butyl N-[(3S,4R)-1-(6-aminopyridazin-3-yl)-3-fluoropiperidin-4-yl]-N-methylcarbamate);6-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-(4-cyclobutylpiperazin-1-yl)pyridazin-3-amine (CID 158430577) is bis(tert-butyl N-[(3S,4R)-1-(6-aminopyridazin-3-yl)-3-fluoropiperidin-4-yl]-N-methylcarbamate);6-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-(4-cyclobutylpiperazin-1-yl)pyridazin-3-amine.

What is the SMILES notation for bis(tert-butyl N-[(3S,4R)-1-(6-aminopyridazin-3-yl)-3-fluoropiperidin-4-yl]-N-methylcarbamate);6-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-(4-cyclobutylpiperazin-1-yl)pyridazin-3-amine?

The canonical SMILES for bis(tert-butyl N-[(3S,4R)-1-(6-aminopyridazin-3-yl)-3-fluoropiperidin-4-yl]-N-methylcarbamate);6-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-(4-cyclobutylpiperazin-1-yl)pyridazin-3-amine is CC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ccc(N)nn2)C[C@H]1F.CC(C)(C)[Si](C)(C)O[C@H]1CCN(c2ccc(N)nn2)C[C@H]1F.CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(N)nn2)C[C@@H]1F.CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(N)nn2)C[C@@H]1F.Nc1ccc(N2CCN(C3CCC3)CC2)nn1.

What is the InChIKey of bis(tert-butyl N-[(3S,4R)-1-(6-aminopyridazin-3-yl)-3-fluoropiperidin-4-yl]-N-methylcarbamate);6-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-(4-cyclobutylpiperazin-1-yl)pyridazin-3-amine?

The InChIKey is HBPLLIOKULSIKO-UJDCFYCISA-N. The full InChI is InChI=1S/2C15H24FN5O2.2C15H27FN4OSi.C12H19N5/c2*1-15(2,3)23-14(22)20(4)11-7-8-21(9-10(11)16)13-6-5-12(17)18-19-13;2*1-15(2,3)22(4,5)21-12-8-9-20(10-11(12)16)14-7-6-13(17)18-19-14;13-11-4-5-12(15-14-11)17-8-6-16(7-9-17)10-2-1-3-10/h2*5-6,10-11H,7-9H2,1-4H3,(H2,17,18);2*6-7,11-12H,8-10H2,1-5H3,(H2,17,18);4-5,10H,1-3,6-9H2,(H2,13,14)/t2*10-,11+;11-,12+;11-,12-;/m0011./s1.

What are the key properties of bis(tert-butyl N-[(3S,4R)-1-(6-aminopyridazin-3-yl)-3-fluoropiperidin-4-yl]-N-methylcarbamate);6-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-(4-cyclobutylpiperazin-1-yl)pyridazin-3-amine?

bis(tert-butyl N-[(3S,4R)-1-(6-aminopyridazin-3-yl)-3-fluoropiperidin-4-yl]-N-methylcarbamate);6-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-(4-cyclobutylpiperazin-1-yl)pyridazin-3-amine has a molecular weight of 1537.08 g/mol, XLogP of 10.41, 12 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis(tert-butyl N-[(3S,4R)-1-(6-aminopyridazin-3-yl)-3-fluoropiperidin-4-yl]-N-methylcarbamate);6-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-(4-cyclobutylpiperazin-1-yl)pyridazin-3-amine is sourced from PubChem (CID 158430577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).