6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-1-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide

C26H30FN5O2 — CID 154598934

About 6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-1-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide

6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-1-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide (PubChem CID 154598934) has the molecular formula C26H30FN5O2 and a molecular weight of 463.56 g/mol. Its IUPAC name is 6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-1-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide.

Molecular Properties

• Compound Name: 6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-1-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide
• PubChem CID: 154598934
• Molecular Formula: C26H30FN5O2
• Molecular Weight: 463.56 g/mol
• Exact Mass: 463.24
• IUPAC Name: 6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-1-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide
• SMILES: CNC(=O)c1ccc2cc(-c3ccc(N(C)C4C[C@]5(C)CC[C@](C)(C4)N5)nn3)c(O)cc2c1F
• InChI: InChI=1S/C26H30FN5O2/c1-25-9-10-26(2,31-25)14-16(13-25)32(4)22-8-7-20(29-30-22)19-11-15-5-6-17(24(34)28-3)23(27)18(15)12-21(19)33/h5-8,11-12,16,31,33H,9-10,13-14H2,1-4H3,(H,28,34)/t16?,25-,26+
• InChIKey: VKCWNVHQWJSPQJ-FUXRKLIYSA-N
• XLogP: 4.00
• TPSA: 90.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.56
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-1-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide?

The IUPAC name of 6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-1-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide (CID 154598934) is 6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-1-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide.

What is the SMILES notation for 6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-1-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide?

The canonical SMILES for 6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-1-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide is CNC(=O)c1ccc2cc(-c3ccc(N(C)C4C[C@]5(C)CC[C@](C)(C4)N5)nn3)c(O)cc2c1F.

What is the InChIKey of 6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-1-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide?

The InChIKey is VKCWNVHQWJSPQJ-FUXRKLIYSA-N. The full InChI is InChI=1S/C26H30FN5O2/c1-25-9-10-26(2,31-25)14-16(13-25)32(4)22-8-7-20(29-30-22)19-11-15-5-6-17(24(34)28-3)23(27)18(15)12-21(19)33/h5-8,11-12,16,31,33H,9-10,13-14H2,1-4H3,(H,28,34)/t16?,25-,26+.

What are the key properties of 6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-1-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide?

6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-1-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-1-fluoro-7-hydroxy-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 154598934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).