3-[6-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]naphthalene-2,7-diol

C22H24N4O2 — CID 155407718

IUPAC3-[6-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]naphthalene-2,7-diol
SMILESCN(c1ccc(-c2cc3ccc(O)cc3cc2O)nn1)C1CC2CC[C@H](C1)N2
InChIInChI=1S/C22H24N4O2/c1-26(17-11-15-3-4-16(12-17)23-15)22-7-6-20(24-25-22)19-9-13-2-5-18(27)8-14(13)10-21(19)28/h2,5-10,15-17,23,27-28H,3-4,11-12H2,1H3/t15-,16?,17?/m1/s1
InChIKeyGTOBIYAWLIAJMO-KLAILNCOSA-N
MW376.46 g/mol
LogP3.43
Rot. Bonds3

About 3-[6-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]naphthalene-2,7-diol

3-[6-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]naphthalene-2,7-diol (PubChem CID 155407718) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[6-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]naphthalene-2,7-diol.

Molecular Properties

Compound Name3-[6-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]naphthalene-2,7-diol
PubChem CID155407718
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-[6-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]naphthalene-2,7-diol
SMILESCN(c1ccc(-c2cc3ccc(O)cc3cc2O)nn1)C1CC2CC[C@H](C1)N2
InChIInChI=1S/C22H24N4O2/c1-26(17-11-15-3-4-16(12-17)23-15)22-7-6-20(24-25-22)19-9-13-2-5-18(27)8-14(13)10-21(19)28/h2,5-10,15-17,23,27-28H,3-4,11-12H2,1H3/t15-,16?,17?/m1/s1
InChIKeyGTOBIYAWLIAJMO-KLAILNCOSA-N
XLogP3.43
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]naphthalene-2,7-diol?
The IUPAC name of 3-[6-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]naphthalene-2,7-diol (CID 155407718) is 3-[6-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]naphthalene-2,7-diol.
What is the SMILES notation for 3-[6-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]naphthalene-2,7-diol?
The canonical SMILES for 3-[6-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]naphthalene-2,7-diol is CN(c1ccc(-c2cc3ccc(O)cc3cc2O)nn1)C1CC2CC[C@H](C1)N2.
What is the InChIKey of 3-[6-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]naphthalene-2,7-diol?
The InChIKey is GTOBIYAWLIAJMO-KLAILNCOSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-26(17-11-15-3-4-16(12-17)23-15)22-7-6-20(24-25-22)19-9-13-2-5-18(27)8-14(13)10-21(19)28/h2,5-10,15-17,23,27-28H,3-4,11-12H2,1H3/t15-,16?,17?/m1/s1.
What are the key properties of 3-[6-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]naphthalene-2,7-diol?
3-[6-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]naphthalene-2,7-diol has a molecular weight of 376.46 g/mol, XLogP of 3.43, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[(5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]naphthalene-2,7-diol is sourced from PubChem (CID 155407718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).