5-[6-(1-azabicyclo[3.3.1]nonan-4-yloxy)pyridazin-3-yl]-2,3-dimethyl-1H-indole

C22H26N4O — CID 66920894

IUPAC5-[6-(1-azabicyclo[3.3.1]nonan-4-yloxy)pyridazin-3-yl]-2,3-dimethyl-1H-indole
SMILESCc1[nH]c2ccc(-c3ccc(OC4CCN5CCCC4C5)nn3)cc2c1C
InChIInChI=1S/C22H26N4O/c1-14-15(2)23-20-6-5-16(12-18(14)20)19-7-8-22(25-24-19)27-21-9-11-26-10-3-4-17(21)13-26/h5-8,12,17,21,23H,3-4,9-11,13H2,1-2H3
InChIKeyPIDRESALQFBDNW-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.10
Rot. Bonds3

About 5-[6-(1-azabicyclo[3.3.1]nonan-4-yloxy)pyridazin-3-yl]-2,3-dimethyl-1H-indole

5-[6-(1-azabicyclo[3.3.1]nonan-4-yloxy)pyridazin-3-yl]-2,3-dimethyl-1H-indole (PubChem CID 66920894) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 5-[6-(1-azabicyclo[3.3.1]nonan-4-yloxy)pyridazin-3-yl]-2,3-dimethyl-1H-indole.

Molecular Properties

Compound Name5-[6-(1-azabicyclo[3.3.1]nonan-4-yloxy)pyridazin-3-yl]-2,3-dimethyl-1H-indole
PubChem CID66920894
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name5-[6-(1-azabicyclo[3.3.1]nonan-4-yloxy)pyridazin-3-yl]-2,3-dimethyl-1H-indole
SMILESCc1[nH]c2ccc(-c3ccc(OC4CCN5CCCC4C5)nn3)cc2c1C
InChIInChI=1S/C22H26N4O/c1-14-15(2)23-20-6-5-16(12-18(14)20)19-7-8-22(25-24-19)27-21-9-11-26-10-3-4-17(21)13-26/h5-8,12,17,21,23H,3-4,9-11,13H2,1-2H3
InChIKeyPIDRESALQFBDNW-UHFFFAOYSA-N
XLogP4.10
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(1-azabicyclo[3.3.1]nonan-4-yloxy)pyridazin-3-yl]-2,3-dimethyl-1H-indole?
The IUPAC name of 5-[6-(1-azabicyclo[3.3.1]nonan-4-yloxy)pyridazin-3-yl]-2,3-dimethyl-1H-indole (CID 66920894) is 5-[6-(1-azabicyclo[3.3.1]nonan-4-yloxy)pyridazin-3-yl]-2,3-dimethyl-1H-indole.
What is the SMILES notation for 5-[6-(1-azabicyclo[3.3.1]nonan-4-yloxy)pyridazin-3-yl]-2,3-dimethyl-1H-indole?
The canonical SMILES for 5-[6-(1-azabicyclo[3.3.1]nonan-4-yloxy)pyridazin-3-yl]-2,3-dimethyl-1H-indole is Cc1[nH]c2ccc(-c3ccc(OC4CCN5CCCC4C5)nn3)cc2c1C.
What is the InChIKey of 5-[6-(1-azabicyclo[3.3.1]nonan-4-yloxy)pyridazin-3-yl]-2,3-dimethyl-1H-indole?
The InChIKey is PIDRESALQFBDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-14-15(2)23-20-6-5-16(12-18(14)20)19-7-8-22(25-24-19)27-21-9-11-26-10-3-4-17(21)13-26/h5-8,12,17,21,23H,3-4,9-11,13H2,1-2H3.
What are the key properties of 5-[6-(1-azabicyclo[3.3.1]nonan-4-yloxy)pyridazin-3-yl]-2,3-dimethyl-1H-indole?
5-[6-(1-azabicyclo[3.3.1]nonan-4-yloxy)pyridazin-3-yl]-2,3-dimethyl-1H-indole has a molecular weight of 362.48 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(1-azabicyclo[3.3.1]nonan-4-yloxy)pyridazin-3-yl]-2,3-dimethyl-1H-indole is sourced from PubChem (CID 66920894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).