ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-[(6-propyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide

C35H47FN6O3 — CID 176923874

About ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-[(6-propyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide

ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-[(6-propyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide (PubChem CID 176923874) has the molecular formula C35H47FN6O3 and a molecular weight of 618.80 g/mol. Its IUPAC name is ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-[(6-propyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide.

Molecular Properties

• Compound Name: ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-[(6-propyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide
• PubChem CID: 176923874
• Molecular Formula: C35H47FN6O3
• Molecular Weight: 618.80 g/mol
• Exact Mass: 618.37
• IUPAC Name: ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-[(6-propyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide
• SMILES: CC.CCCN1CCc2nccc(OC3CC4(C3)CN(c3ncncc3Oc3ccc(F)cc3C(=O)N(CC)C(C)C)C4)c2C1
• InChI: InChI=1S/C33H41FN6O3.C2H6/c1-5-12-38-13-10-27-26(18-38)29(9-11-36-27)42-24-15-33(16-24)19-39(20-33)31-30(17-35-21-37-31)43-28-8-7-23(34)14-25(28)32(41)40(6-2)22(3)4;1-2/h7-9,11,14,17,21-22,24H,5-6,10,12-13,15-16,18-20H2,1-4H3;1-2H3
• InChIKey: SJRRICIVIBUZJD-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 83.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.80
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	0
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-[(6-propyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide?

The IUPAC name of ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-[(6-propyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide (CID 176923874) is ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-[(6-propyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide.

What is the SMILES notation for ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-[(6-propyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide?

The canonical SMILES for ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-[(6-propyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide is CC.CCCN1CCc2nccc(OC3CC4(C3)CN(c3ncncc3Oc3ccc(F)cc3C(=O)N(CC)C(C)C)C4)c2C1.

What is the InChIKey of ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-[(6-propyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide?

The InChIKey is SJRRICIVIBUZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41FN6O3.C2H6/c1-5-12-38-13-10-27-26(18-38)29(9-11-36-27)42-24-15-33(16-24)19-39(20-33)31-30(17-35-21-37-31)43-28-8-7-23(34)14-25(28)32(41)40(6-2)22(3)4;1-2/h7-9,11,14,17,21-22,24H,5-6,10,12-13,15-16,18-20H2,1-4H3;1-2H3.

What are the key properties of ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-[(6-propyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide?

ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-[(6-propyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide has a molecular weight of 618.80 g/mol, XLogP of 6.52, 10 rotatable bonds, 0 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-[(6-propyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide is sourced from PubChem (CID 176923874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).