6-(2-chloro-3-pyridinyl)-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine;N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine

C39H37ClF2N10O — CID 159158984

About 6-(2-chloro-3-pyridinyl)-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine;N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine

6-(2-chloro-3-pyridinyl)-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine;N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine (PubChem CID 159158984) has the molecular formula C39H37ClF2N10O and a molecular weight of 735.24 g/mol. Its IUPAC name is 6-(2-chloro-3-pyridinyl)-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine;N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine.

Molecular Properties

• Compound Name: 6-(2-chloro-3-pyridinyl)-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine;N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine
• PubChem CID: 159158984
• Molecular Formula: C39H37ClF2N10O
• Molecular Weight: 735.24 g/mol
• Exact Mass: 734.28
• IUPAC Name: 6-(2-chloro-3-pyridinyl)-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine;N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine
• SMILES: COc1ncccc1-c1ccc(NCC2(c3ncccc3F)CCC2)nn1.Fc1cccnc1C1(CNc2ccc(-c3cccnc3Cl)nn2)CCC1
• InChI: InChI=1S/C20H20FN5O.C19H17ClFN5/c1-27-19-14(5-2-12-23-19)16-7-8-17(26-25-16)24-13-20(9-4-10-20)18-15(21)6-3-11-22-18;20-18-13(4-1-11-23-18)15-6-7-16(26-25-15)24-12-19(8-3-9-19)17-14(21)5-2-10-22-17/h2-3,5-8,11-12H,4,9-10,13H2,1H3,(H,24,26);1-2,4-7,10-11H,3,8-9,12H2,(H,24,26)
• InChIKey: KKGINNGPRKCUTO-UHFFFAOYSA-N
• XLogP: 7.88
• TPSA: 136.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	735.24
LogP ≤ 5	7.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-3-pyridinyl)-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine;N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine?

The IUPAC name of 6-(2-chloro-3-pyridinyl)-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine;N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine (CID 159158984) is 6-(2-chloro-3-pyridinyl)-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine;N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine.

What is the SMILES notation for 6-(2-chloro-3-pyridinyl)-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine;N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine?

The canonical SMILES for 6-(2-chloro-3-pyridinyl)-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine;N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine is COc1ncccc1-c1ccc(NCC2(c3ncccc3F)CCC2)nn1.Fc1cccnc1C1(CNc2ccc(-c3cccnc3Cl)nn2)CCC1.

What is the InChIKey of 6-(2-chloro-3-pyridinyl)-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine;N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine?

The InChIKey is KKGINNGPRKCUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O.C19H17ClFN5/c1-27-19-14(5-2-12-23-19)16-7-8-17(26-25-16)24-13-20(9-4-10-20)18-15(21)6-3-11-22-18;20-18-13(4-1-11-23-18)15-6-7-16(26-25-15)24-12-19(8-3-9-19)17-14(21)5-2-10-22-17/h2-3,5-8,11-12H,4,9-10,13H2,1H3,(H,24,26);1-2,4-7,10-11H,3,8-9,12H2,(H,24,26).

What are the key properties of 6-(2-chloro-3-pyridinyl)-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine;N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine?

6-(2-chloro-3-pyridinyl)-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine;N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine has a molecular weight of 735.24 g/mol, XLogP of 7.88, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-3-pyridinyl)-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine;N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine is sourced from PubChem (CID 159158984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).