(3aR,6aS)-2-(2-bicyclo[2.2.2]oct-5-enylmethyl)-5-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C26H35N5O — CID 142563551

IUPAC(3aR,6aS)-2-(2-bicyclo[2.2.2]oct-5-enylmethyl)-5-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCc1nn(C)cc1-c1ccc(OCC2C[C@@H]3CN(CC4CC5C=CC4CC5)C[C@@H]3C2)nn1
InChIInChI=1S/C26H35N5O/c1-17-24(15-30(2)29-17)25-7-8-26(28-27-25)32-16-19-10-22-13-31(14-23(22)11-19)12-21-9-18-3-5-20(21)6-4-18/h3,5,7-8,15,18-23H,4,6,9-14,16H2,1-2H3/t18?,19?,20?,21?,22-,23+
InChIKeyWTHMOSMVEUSGGC-FLLLSTGNSA-N
MW433.60 g/mol
LogP4.12
Rot. Bonds6

About (3aR,6aS)-2-(2-bicyclo[2.2.2]oct-5-enylmethyl)-5-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

(3aR,6aS)-2-(2-bicyclo[2.2.2]oct-5-enylmethyl)-5-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 142563551) has the molecular formula C26H35N5O and a molecular weight of 433.60 g/mol. Its IUPAC name is (3aR,6aS)-2-(2-bicyclo[2.2.2]oct-5-enylmethyl)-5-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-2-(2-bicyclo[2.2.2]oct-5-enylmethyl)-5-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID142563551
Molecular FormulaC26H35N5O
Molecular Weight433.60 g/mol
Exact Mass433.28
IUPAC Name(3aR,6aS)-2-(2-bicyclo[2.2.2]oct-5-enylmethyl)-5-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCc1nn(C)cc1-c1ccc(OCC2C[C@@H]3CN(CC4CC5C=CC4CC5)C[C@@H]3C2)nn1
InChIInChI=1S/C26H35N5O/c1-17-24(15-30(2)29-17)25-7-8-26(28-27-25)32-16-19-10-22-13-31(14-23(22)11-19)12-21-9-18-3-5-20(21)6-4-18/h3,5,7-8,15,18-23H,4,6,9-14,16H2,1-2H3/t18?,19?,20?,21?,22-,23+
InChIKeyWTHMOSMVEUSGGC-FLLLSTGNSA-N
XLogP4.12
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3aR,6aS)-2-(2-bicyclo[2.2.2]oct-5-enylmethyl)-5-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-2-(2-bicyclo[2.2.2]oct-5-enylmethyl)-5-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of (3aR,6aS)-2-(2-bicyclo[2.2.2]oct-5-enylmethyl)-5-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 142563551) is (3aR,6aS)-2-(2-bicyclo[2.2.2]oct-5-enylmethyl)-5-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for (3aR,6aS)-2-(2-bicyclo[2.2.2]oct-5-enylmethyl)-5-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for (3aR,6aS)-2-(2-bicyclo[2.2.2]oct-5-enylmethyl)-5-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is Cc1nn(C)cc1-c1ccc(OCC2C[C@@H]3CN(CC4CC5C=CC4CC5)C[C@@H]3C2)nn1.
What is the InChIKey of (3aR,6aS)-2-(2-bicyclo[2.2.2]oct-5-enylmethyl)-5-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is WTHMOSMVEUSGGC-FLLLSTGNSA-N. The full InChI is InChI=1S/C26H35N5O/c1-17-24(15-30(2)29-17)25-7-8-26(28-27-25)32-16-19-10-22-13-31(14-23(22)11-19)12-21-9-18-3-5-20(21)6-4-18/h3,5,7-8,15,18-23H,4,6,9-14,16H2,1-2H3/t18?,19?,20?,21?,22-,23+.
What are the key properties of (3aR,6aS)-2-(2-bicyclo[2.2.2]oct-5-enylmethyl)-5-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
(3aR,6aS)-2-(2-bicyclo[2.2.2]oct-5-enylmethyl)-5-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 433.60 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2-(2-bicyclo[2.2.2]oct-5-enylmethyl)-5-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 142563551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).