6-(3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridine-2-carbonitrile;buta-1,3-diene;1-(4-fluorophenyl)-6-methylindazole;methane

C31H32FN5O — CID 168961079

About 6-(3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridine-2-carbonitrile;buta-1,3-diene;1-(4-fluorophenyl)-6-methylindazole;methane

6-(3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridine-2-carbonitrile;buta-1,3-diene;1-(4-fluorophenyl)-6-methylindazole;methane (PubChem CID 168961079) has the molecular formula C31H32FN5O and a molecular weight of 509.63 g/mol. Its IUPAC name is 6-(3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridine-2-carbonitrile;buta-1,3-diene;1-(4-fluorophenyl)-6-methylindazole;methane.

Molecular Properties

• Compound Name: 6-(3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridine-2-carbonitrile;buta-1,3-diene;1-(4-fluorophenyl)-6-methylindazole;methane
• PubChem CID: 168961079
• Molecular Formula: C31H32FN5O
• Molecular Weight: 509.63 g/mol
• Exact Mass: 509.26
• IUPAC Name: 6-(3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridine-2-carbonitrile;buta-1,3-diene;1-(4-fluorophenyl)-6-methylindazole;methane
• SMILES: C.C=CC=C.Cc1ccc2cnn(-c3ccc(F)cc3)c2c1.N#Cc1cccc(C(=O)N2CC3CC3C2)n1
• InChI: InChI=1S/C14H11FN2.C12H11N3O.C4H6.CH4/c1-10-2-3-11-9-16-17(14(11)8-10)13-6-4-12(15)5-7-13;13-5-10-2-1-3-11(14-10)12(16)15-6-8-4-9(8)7-15;1-3-4-2;/h2-9H,1H3;1-3,8-9H,4,6-7H2;3-4H,1-2H2;1H4
• InChIKey: IPYGPZQTWPVKGX-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 74.81 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.63
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridine-2-carbonitrile;buta-1,3-diene;1-(4-fluorophenyl)-6-methylindazole;methane?

The IUPAC name of 6-(3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridine-2-carbonitrile;buta-1,3-diene;1-(4-fluorophenyl)-6-methylindazole;methane (CID 168961079) is 6-(3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridine-2-carbonitrile;buta-1,3-diene;1-(4-fluorophenyl)-6-methylindazole;methane.

What is the SMILES notation for 6-(3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridine-2-carbonitrile;buta-1,3-diene;1-(4-fluorophenyl)-6-methylindazole;methane?

The canonical SMILES for 6-(3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridine-2-carbonitrile;buta-1,3-diene;1-(4-fluorophenyl)-6-methylindazole;methane is C.C=CC=C.Cc1ccc2cnn(-c3ccc(F)cc3)c2c1.N#Cc1cccc(C(=O)N2CC3CC3C2)n1.

What is the InChIKey of 6-(3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridine-2-carbonitrile;buta-1,3-diene;1-(4-fluorophenyl)-6-methylindazole;methane?

The InChIKey is IPYGPZQTWPVKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2.C12H11N3O.C4H6.CH4/c1-10-2-3-11-9-16-17(14(11)8-10)13-6-4-12(15)5-7-13;13-5-10-2-1-3-11(14-10)12(16)15-6-8-4-9(8)7-15;1-3-4-2;/h2-9H,1H3;1-3,8-9H,4,6-7H2;3-4H,1-2H2;1H4.

What are the key properties of 6-(3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridine-2-carbonitrile;buta-1,3-diene;1-(4-fluorophenyl)-6-methylindazole;methane?

6-(3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridine-2-carbonitrile;buta-1,3-diene;1-(4-fluorophenyl)-6-methylindazole;methane has a molecular weight of 509.63 g/mol, XLogP of 6.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridine-2-carbonitrile;buta-1,3-diene;1-(4-fluorophenyl)-6-methylindazole;methane is sourced from PubChem (CID 168961079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).