7-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]cinnolin-6-ol

C20H21FN6O — CID 166586389

IUPAC7-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]cinnolin-6-ol
SMILESCN(c1ccc(-c2cc3nnccc3cc2O)nn1)[C@@H]1CC2CCC(N2)[C@@H]1F
InChIInChI=1S/C20H21FN6O/c1-27(17-9-12-2-3-15(23-12)20(17)21)19-5-4-14(25-26-19)13-10-16-11(8-18(13)28)6-7-22-24-16/h4-8,10,12,15,17,20,23,28H,2-3,9H2,1H3/t12?,15?,17-,20+/m1/s1
InChIKeyFUWYPHOAWZVUAS-RECCZHHOSA-N
MW380.43 g/mol
LogP2.46
Rot. Bonds3

About 7-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]cinnolin-6-ol

7-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]cinnolin-6-ol (PubChem CID 166586389) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is 7-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]cinnolin-6-ol.

Molecular Properties

Compound Name7-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]cinnolin-6-ol
PubChem CID166586389
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name7-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]cinnolin-6-ol
SMILESCN(c1ccc(-c2cc3nnccc3cc2O)nn1)[C@@H]1CC2CCC(N2)[C@@H]1F
InChIInChI=1S/C20H21FN6O/c1-27(17-9-12-2-3-15(23-12)20(17)21)19-5-4-14(25-26-19)13-10-16-11(8-18(13)28)6-7-22-24-16/h4-8,10,12,15,17,20,23,28H,2-3,9H2,1H3/t12?,15?,17-,20+/m1/s1
InChIKeyFUWYPHOAWZVUAS-RECCZHHOSA-N
XLogP2.46
TPSA87.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-[[(1R,2S,3S,5S)-2-fluoro-1-methyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 162644974
Nvs-SM2
CID 136598218
2-[6-[[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-4-fluoro-5-(1H-pyrazol-4-yl)phenol
CID 137464784
2-[5-[[(3R)-1-methylpiperidin-3-yl]amino]pyrido[2,3-d]pyridazin-8-yl]-5-(trifluoromethyl)phenol
CID 166518684
3-fluoro-2-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol
CID 136377179
3-fluoro-2-(6-(methyl (2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenol
CID 136377180
4-fluoro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 136598269
2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-4-fluoro-5-(1H-pyrazol-4-yl)phenol
CID 137464793
2-[6-[[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-[1-(difluoromethyl)pyrazol-4-yl]phenol
CID 137464840
2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 137464847
5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)-(3,3,3-trifluoropropyl)amino]pyridazin-3-yl]phenol
CID 137464849
2-[6-[8-azabicyclo[3.2.1]octan-3-yl(2-fluoroethyl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 137464850

Frequently Asked Questions

What is the IUPAC name of 7-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]cinnolin-6-ol?
The IUPAC name of 7-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]cinnolin-6-ol (CID 166586389) is 7-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]cinnolin-6-ol.
What is the SMILES notation for 7-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]cinnolin-6-ol?
The canonical SMILES for 7-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]cinnolin-6-ol is CN(c1ccc(-c2cc3nnccc3cc2O)nn1)[C@@H]1CC2CCC(N2)[C@@H]1F.
What is the InChIKey of 7-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]cinnolin-6-ol?
The InChIKey is FUWYPHOAWZVUAS-RECCZHHOSA-N. The full InChI is InChI=1S/C20H21FN6O/c1-27(17-9-12-2-3-15(23-12)20(17)21)19-5-4-14(25-26-19)13-10-16-11(8-18(13)28)6-7-22-24-16/h4-8,10,12,15,17,20,23,28H,2-3,9H2,1H3/t12?,15?,17-,20+/m1/s1.
What are the key properties of 7-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]cinnolin-6-ol?
7-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]cinnolin-6-ol has a molecular weight of 380.43 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]cinnolin-6-ol is sourced from PubChem (CID 166586389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).