ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-yl]oxybenzamide

C32H41FN6O3 — CID 176924252

About ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-yl]oxybenzamide

ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-yl]oxybenzamide (PubChem CID 176924252) has the molecular formula C32H41FN6O3 and a molecular weight of 576.72 g/mol. Its IUPAC name is ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-yl]oxybenzamide.

Molecular Properties

• Compound Name: ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-yl]oxybenzamide
• PubChem CID: 176924252
• Molecular Formula: C32H41FN6O3
• Molecular Weight: 576.72 g/mol
• Exact Mass: 576.32
• IUPAC Name: ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-yl]oxybenzamide
• SMILES: CC.CCN(C(=O)c1cc(F)ccc1Oc1nnccc1N1CC2(CC(Oc3ccnc4c3CNCC4)C2)C1)C(C)C
• InChI: InChI=1S/C30H35FN6O3.C2H6/c1-4-37(19(2)3)29(38)22-13-20(31)5-6-26(22)40-28-25(8-12-34-35-28)36-17-30(18-36)14-21(15-30)39-27-9-11-33-24-7-10-32-16-23(24)27;1-2/h5-6,8-9,11-13,19,21,32H,4,7,10,14-18H2,1-3H3;1-2H3
• InChIKey: DELRMLQVKZYGRO-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 92.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.72
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-yl]oxybenzamide?

The IUPAC name of ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-yl]oxybenzamide (CID 176924252) is ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-yl]oxybenzamide.

What is the SMILES notation for ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-yl]oxybenzamide?

The canonical SMILES for ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-yl]oxybenzamide is CC.CCN(C(=O)c1cc(F)ccc1Oc1nnccc1N1CC2(CC(Oc3ccnc4c3CNCC4)C2)C1)C(C)C.

What is the InChIKey of ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-yl]oxybenzamide?

The InChIKey is DELRMLQVKZYGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN6O3.C2H6/c1-4-37(19(2)3)29(38)22-13-20(31)5-6-26(22)40-28-25(8-12-34-35-28)36-17-30(18-36)14-21(15-30)39-27-9-11-33-24-7-10-32-16-23(24)27;1-2/h5-6,8-9,11-13,19,21,32H,4,7,10,14-18H2,1-3H3;1-2H3.

What are the key properties of ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-yl]oxybenzamide?

ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-yl]oxybenzamide has a molecular weight of 576.72 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-yl]oxybenzamide is sourced from PubChem (CID 176924252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).